19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide

C29H35N3O5S2 — CID 23658075

IUPAC19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
SMILESCCS(=O)(=O)C12CC1c1ccccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2
InChIInChI=1S/C29H35N3O5S2/c1-4-38(34,35)29-17-24(29)21-12-8-9-13-22(21)27-26(19-10-6-5-7-11-19)23-15-14-20(16-25(23)32(27)18-29)28(33)30-39(36,37)31(2)3/h8-9,12-16,19,24H,4-7,10-11,17-18H2,1-3H3,(H,30,33)
InChIKeyFHELYWHYAVOFER-UHFFFAOYSA-N
MW569.75 g/mol
LogP4.57
Rot. Bonds6

About 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide (PubChem CID 23658075) has the molecular formula C29H35N3O5S2 and a molecular weight of 569.75 g/mol. Its IUPAC name is 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
PubChem CID23658075
Molecular FormulaC29H35N3O5S2
Molecular Weight569.75 g/mol
Exact Mass569.20
IUPAC Name19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
SMILESCCS(=O)(=O)C12CC1c1ccccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2
InChIInChI=1S/C29H35N3O5S2/c1-4-38(34,35)29-17-24(29)21-12-8-9-13-22(21)27-26(19-10-6-5-7-11-19)23-15-14-20(16-25(23)32(27)18-29)28(33)30-39(36,37)31(2)3/h8-9,12-16,19,24H,4-7,10-11,17-18H2,1-3H3,(H,30,33)
InChIKeyFHELYWHYAVOFER-UHFFFAOYSA-N
XLogP4.57
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.75
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide with MolForge

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Related Compounds

(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide
CID 24739578
(2R)-12-cyclohexyl-N-(dimethylsulfamoyl)-2-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-1-azapentacyclo[9.7.0.02,4.05,10.013,18]octadeca-5,7,9,11,13(18),14,16-heptaene-16-carboxamide
CID 42623826
12-cyclohexyl-N-(dimethylsulfamoyl)-2-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-1-azapentacyclo[9.7.0.02,4.05,10.013,18]octadeca-5,7,9,11,13(18),14,16-heptaene-16-carboxamide
CID 42623752
(8S,10R)-19-cyclohexyl-10-(2,5-diethylpyrrolidine-1-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 126513472
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71052300
19-cyclohexyl-10-(C,N-dimethylcarbonimidoyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145476121
13-cyclohexyl-10-N-(dimethylsulfamoyl)-6-N-(2-hydroxyethyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 58765269
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25019679
(8R,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 59837564
5-butoxy-19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71033821
dimethyl (10R)-19-cyclohexyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-10,15-dicarboxylate
CID 102125984
10-(4-acetyl-1,4-diazepane-1-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25015603

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide (CID 23658075) is 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide is CCS(=O)(=O)C12CC1c1ccccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.
What is the InChIKey of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is FHELYWHYAVOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5S2/c1-4-38(34,35)29-17-24(29)21-12-8-9-13-22(21)27-26(19-10-6-5-7-11-19)23-15-14-20(16-25(23)32(27)18-29)28(33)30-39(36,37)31(2)3/h8-9,12-16,19,24H,4-7,10-11,17-18H2,1-3H3,(H,30,33).
What are the key properties of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide?
19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 569.75 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-ethylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 23658075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).