N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C28H38N2O6S — CID 58326286

IUPACN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CC1COC1)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C28H38N2O6S/c1-3-29(16-23(31)13-19-17-36-18-19)28(32)22-6-8-27-25(15-22)24-14-21(20-9-11-35-12-10-20)5-7-26(24)30(27)37(33,34)4-2/h6,8,15,19-21H,3-5,7,9-14,16-18H2,1-2H3
InChIKeyUXYLFWLASINFPQ-UHFFFAOYSA-N
MW530.69 g/mol
LogP3.44
Rot. Bonds9

About N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326286) has the molecular formula C28H38N2O6S and a molecular weight of 530.69 g/mol. Its IUPAC name is N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326286
Molecular FormulaC28H38N2O6S
Molecular Weight530.69 g/mol
Exact Mass530.25
IUPAC NameN-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CC1COC1)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1
InChIInChI=1S/C28H38N2O6S/c1-3-29(16-23(31)13-19-17-36-18-19)28(32)22-6-8-27-25(15-22)24-14-21(20-9-11-35-12-10-20)5-7-26(24)30(27)37(33,34)4-2/h6,8,15,19-21H,3-5,7,9-14,16-18H2,1-2H3
InChIKeyUXYLFWLASINFPQ-UHFFFAOYSA-N
XLogP3.44
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;2-[ethyl-[9-ethylsulfonyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]amino]acetic acid
CID 160670213
N-[2-(cyclopropylamino)-2-oxoethyl]-9-ethylsulfonyl-N-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196554
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
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
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-ethyl-N-[4-(2-hydroxyethylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 67252003
(6R)-N-[(3S)-6-(ethylamino)-1-hydroxy-6-oxohexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766400
N-[2-[cyclopropylcarbamothioyl(methyl)amino]ethyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196550
4-[[5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl]-methylamino]butanoic acid
CID 71120481
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196664
(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 25195780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326286) is N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)CC1COC1)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.
What is the InChIKey of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is UXYLFWLASINFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O6S/c1-3-29(16-23(31)13-19-17-36-18-19)28(32)22-6-8-27-25(15-22)24-14-21(20-9-11-35-12-10-20)5-7-26(24)30(27)37(33,34)4-2/h6,8,15,19-21H,3-5,7,9-14,16-18H2,1-2H3.
What are the key properties of N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 530.69 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).