1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide

C19H18N2O4S — CID 86756608

IUPAC1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
SMILESCS(=O)(=O)n1c(C(=O)N[C@H](C=O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H18N2O4S/c1-26(24,25)21-17-10-6-5-9-15(17)12-18(21)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLPTCYUMHVGCFGD-INIZCTEOSA-N
MW370.43 g/mol
LogP1.99
Rot. Bonds6

About 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide

1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide (PubChem CID 86756608) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
PubChem CID86756608
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
SMILESCS(=O)(=O)n1c(C(=O)N[C@H](C=O)Cc2ccccc2)cc2ccccc21
InChIInChI=1S/C19H18N2O4S/c1-26(24,25)21-17-10-6-5-9-15(17)12-18(21)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLPTCYUMHVGCFGD-INIZCTEOSA-N
XLogP1.99
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 1-methylsulfonylindole-2-carboxylate
CID 1487719
(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide
CID 10689874
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1-phenylpyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide
CID 142317142
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
(3S)-3-[[(2S)-2-[[1-(carboxymethyl)indole-2-carbonyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 22942376
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 22988100

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide (CID 86756608) is 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide is CS(=O)(=O)n1c(C(=O)N[C@H](C=O)Cc2ccccc2)cc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide?
The InChIKey is LPTCYUMHVGCFGD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-26(24,25)21-17-10-6-5-9-15(17)12-18(21)19(23)20-16(13-22)11-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide?
1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 86756608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).