N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide

C20H25N3O4S — CID 32552268

IUPACN-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-14(2)18(23-19(24)15-8-6-5-7-9-15)20(25)22-16-10-12-17(13-11-16)28(26,27)21-3/h5-14,18,21H,4H2,1-3H3,(H,22,25)(H,23,24)/t14-,18+/m0/s1
InChIKeyPCAGRVLXXBUTBA-KBXCAEBGSA-N
MW403.50 g/mol
LogP2.38
Rot. Bonds8

About N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide

N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide (PubChem CID 32552268) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
PubChem CID32552268
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-14(2)18(23-19(24)15-8-6-5-7-9-15)20(25)22-16-10-12-17(13-11-16)28(26,27)21-3/h5-14,18,21H,4H2,1-3H3,(H,22,25)(H,23,24)/t14-,18+/m0/s1
InChIKeyPCAGRVLXXBUTBA-KBXCAEBGSA-N
XLogP2.38
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.38
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-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3S)-3-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120517451
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide (CID 32552268) is N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide?
The InChIKey is PCAGRVLXXBUTBA-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-14(2)18(23-19(24)15-8-6-5-7-9-15)20(25)22-16-10-12-17(13-11-16)28(26,27)21-3/h5-14,18,21H,4H2,1-3H3,(H,22,25)(H,23,24)/t14-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide?
N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 32552268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).