N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide

C21H27N3O4S — CID 9257354

IUPACN-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C21H27N3O4S/c1-5-13(2)19(24-20(25)16-9-7-6-8-10-16)21(26)23-18-12-17(29(22,27)28)11-14(3)15(18)4/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25)(H2,22,27,28)/t13-,19-/m0/s1
InChIKeyYEKAFGCXCZJXBW-DJJJIMSYSA-N
MW417.53 g/mol
LogP2.73
Rot. Bonds7

About N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 9257354) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID9257354
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C21H27N3O4S/c1-5-13(2)19(24-20(25)16-9-7-6-8-10-16)21(26)23-18-12-17(29(22,27)28)11-14(3)15(18)4/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25)(H2,22,27,28)/t13-,19-/m0/s1
InChIKeyYEKAFGCXCZJXBW-DJJJIMSYSA-N
XLogP2.73
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
CID 9034859
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
CID 32552268
N-[(2S,3S)-1-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613220
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9257612

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 9257354) is N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C.
What is the InChIKey of N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is YEKAFGCXCZJXBW-DJJJIMSYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-13(2)19(24-20(25)16-9-7-6-8-10-16)21(26)23-18-12-17(29(22,27)28)11-14(3)15(18)4/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25)(H2,22,27,28)/t13-,19-/m0/s1.
What are the key properties of N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 9257354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).