1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide

C23H32N4O5S — CID 54026844

IUPAC1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H]1C(=O)CCCCN1S(C)(=O)=O
InChIInChI=1S/C23H32N4O5S/c1-15(2)13-17(24-23(30)19-14-16-9-5-6-10-18(16)26(19)3)22(29)25-21-20(28)11-7-8-12-27(21)33(4,31)32/h5-6,9-10,14-15,17,21H,7-8,11-13H2,1-4H3,(H,24,30)(H,25,29)/t17?,21-/m0/s1
InChIKeyLCTYFBQBJZPVAA-LFABVHOISA-N
MW476.60 g/mol
LogP1.78
Rot. Bonds7

About 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide

1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide (PubChem CID 54026844) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide
PubChem CID54026844
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H]1C(=O)CCCCN1S(C)(=O)=O
InChIInChI=1S/C23H32N4O5S/c1-15(2)13-17(24-23(30)19-14-16-9-5-6-10-18(16)26(19)3)22(29)25-21-20(28)11-7-8-12-27(21)33(4,31)32/h5-6,9-10,14-15,17,21H,7-8,11-13H2,1-4H3,(H,24,30)(H,25,29)/t17?,21-/m0/s1
InChIKeyLCTYFBQBJZPVAA-LFABVHOISA-N
XLogP1.78
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[[1-(2-fluorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 69309759
N-[(2S)-1-[[(4S)-1-(4-fluorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 59045811
N-[1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 54506254
N-[1-[[(4S)-1-(4-chlorophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 91550034
5-bromo-N-[4-methyl-1-oxo-1-[[(2S)-3-oxo-1-pyridin-2-ylsulfonylazepan-2-yl]amino]pentan-2-yl]furan-2-carboxamide
CID 91056722
N-[(2S)-1-[[(2S)-4-(tert-butylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 164731015
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
N-[(1S,2R)-2-[(3-hydrazinylidene-6-methyl-2-oxoheptan-4-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 140525731
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453796
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
N-[(2S)-4-methyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 69180107
N-[(2S)-4-methyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 69192674

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide (CID 54026844) is 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide is CC(C)CC(NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H]1C(=O)CCCCN1S(C)(=O)=O.
What is the InChIKey of 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide?
The InChIKey is LCTYFBQBJZPVAA-LFABVHOISA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-15(2)13-17(24-23(30)19-14-16-9-5-6-10-18(16)26(19)3)22(29)25-21-20(28)11-7-8-12-27(21)33(4,31)32/h5-6,9-10,14-15,17,21H,7-8,11-13H2,1-4H3,(H,24,30)(H,25,29)/t17?,21-/m0/s1.
What are the key properties of 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide?
1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-1-[[(2S)-1-methylsulfonyl-3-oxoazepan-2-yl]amino]-1-oxopentan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 54026844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).