6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide

C18H18ClN3O3S — CID 177140331

IUPAC6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C18H18ClN3O3S/c1-11(13-5-7-17(20-10-13)26(3,24)25)21-18(23)16-8-12-4-6-14(19)9-15(12)22(16)2/h4-11H,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeyVNAGLKUYBAESLN-NSHDSACASA-N
MW391.88 g/mol
LogP3.12
Rot. Bonds4

About 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide

6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide (PubChem CID 177140331) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
PubChem CID177140331
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C18H18ClN3O3S/c1-11(13-5-7-17(20-10-13)26(3,24)25)21-18(23)16-8-12-4-6-14(19)9-15(12)22(16)2/h4-11H,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeyVNAGLKUYBAESLN-NSHDSACASA-N
XLogP3.12
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
CID 177140163
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177139948
6-chloro-N-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968
1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
CID 177140188
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140237
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
4-[(1R)-1-[(6-bromo-5-chloro-1-methylindole-2-carbonyl)amino]ethyl]benzoic acid
CID 155558291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide (CID 177140331) is 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide is C[C@H](NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide?
The InChIKey is VNAGLKUYBAESLN-NSHDSACASA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-11(13-5-7-17(20-10-13)26(3,24)25)21-18(23)16-8-12-4-6-14(19)9-15(12)22(16)2/h4-11H,1-3H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide?
6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 177140331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).