N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

C16H22N2O5S — CID 9210198

IUPACN-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O5S/c1-23-14-6-4-3-5-12(14)15(19)18-13(9-10-24(2,21)22)16(20)17-11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyGPBFJFOQKKZMEX-ZDUSSCGKSA-N
MW354.43 g/mol
LogP0.51
Rot. Bonds8

About N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 9210198) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID9210198
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O5S/c1-23-14-6-4-3-5-12(14)15(19)18-13(9-10-24(2,21)22)16(20)17-11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyGPBFJFOQKKZMEX-ZDUSSCGKSA-N
XLogP0.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 29206363
N-[(2S)-1-(3,4-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9039908
N-[1-(3-bromoanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 46612145
N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9209241
4-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9210184
N-[1-(2-chloro-4-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55407369
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982690
N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42910422
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2-chloro-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 9210193
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 9210198) is N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC1.
What is the InChIKey of N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is GPBFJFOQKKZMEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-23-14-6-4-3-5-12(14)15(19)18-13(9-10-24(2,21)22)16(20)17-11-7-8-11/h3-6,11,13H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 354.43 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 9210198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).