2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

C17H23BrN2O4S — CID 29206363

IUPAC2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SMILESCS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C17H23BrN2O4S/c1-25(23,24)11-10-15(17(22)19-12-6-2-3-7-12)20-16(21)13-8-4-5-9-14(13)18/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyBTYVMDNJQJWIDM-OAHLLOKOSA-N
MW431.35 g/mol
LogP2.04
Rot. Bonds7

About 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide (PubChem CID 29206363) has the molecular formula C17H23BrN2O4S and a molecular weight of 431.35 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
PubChem CID29206363
Molecular FormulaC17H23BrN2O4S
Molecular Weight431.35 g/mol
Exact Mass430.06
IUPAC Name2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SMILESCS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C17H23BrN2O4S/c1-25(23,24)11-10-15(17(22)19-12-6-2-3-7-12)20-16(21)13-8-4-5-9-14(13)18/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyBTYVMDNJQJWIDM-OAHLLOKOSA-N
XLogP2.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9209241
N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9210198
2-bromo-N-[(2R)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9165453
ethyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 42942364
benzyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 45355349
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-ylmethylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 60554820
4-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9210184
2-bromo-N-[1-[2-(N-methylanilino)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 55447239
(4-chlorophenyl)methyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 45355350
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 24501013
(2-nitrophenyl)methyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate
CID 43056517
2-chloro-N-[(2R)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 9210193

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide (CID 29206363) is 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide is CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCC1.
What is the InChIKey of 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The InChIKey is BTYVMDNJQJWIDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23BrN2O4S/c1-25(23,24)11-10-15(17(22)19-12-6-2-3-7-12)20-16(21)13-8-4-5-9-14(13)18/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,19,22)(H,20,21)/t15-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide has a molecular weight of 431.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 29206363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).