N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C26H35N3O5S — CID 25196554

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C26H35N3O5S/c1-3-35(32,33)29-23-8-4-18(17-10-12-34-13-11-17)14-21(23)22-15-19(5-9-24(22)29)26(31)28(2)16-25(30)27-20-6-7-20/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
InChIKeyVQZJTINTTJSBPP-UHFFFAOYSA-N
MW501.65 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 25196554) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID25196554
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C26H35N3O5S/c1-3-35(32,33)29-23-8-4-18(17-10-12-34-13-11-17)14-21(23)22-15-19(5-9-24(22)29)26(31)28(2)16-25(30)27-20-6-7-20/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
InChIKeyVQZJTINTTJSBPP-UHFFFAOYSA-N
XLogP2.72
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196664
N-[2-[cyclopropylcarbamothioyl(methyl)amino]ethyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196550
N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326286
N-[4-(cyclopropylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196773
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 161292285
3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide
CID 25195992
4-[[5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl]-methylamino]butanoic acid
CID 71120481
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
N-[2-[cyano(methyl)amino]-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197002
N-[4-(2,2-difluoroethylamino)-4-oxobutyl]-9-ethyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196323
N-ethyl-9-methyl-6-(oxan-4-yl)-N-(2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 159296235
N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326254

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 25196554) is N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)CC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is VQZJTINTTJSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-3-35(32,33)29-23-8-4-18(17-10-12-34-13-11-17)14-21(23)22-15-19(5-9-24(22)29)26(31)28(2)16-25(30)27-20-6-7-20/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 501.65 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 25196554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).