4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

C19H29N3O4S — CID 110351370

IUPAC4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-14(2)13-17(19(24)22-11-5-6-12-22)20-18(23)15-7-9-16(10-8-15)27(25,26)21(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyYSRYBKOMDKOVQE-KRWDZBQOSA-N
MW395.53 g/mol
LogP1.70
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (PubChem CID 110351370) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
PubChem CID110351370
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-14(2)13-17(19(24)22-11-5-6-12-22)20-18(23)15-7-9-16(10-8-15)27(25,26)21(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyYSRYBKOMDKOVQE-KRWDZBQOSA-N
XLogP1.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
CID 9441550
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351350
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611
N-[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfonyl)benzamide
CID 87454760
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (CID 110351370) is 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The InChIKey is YSRYBKOMDKOVQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14(2)13-17(19(24)22-11-5-6-12-22)20-18(23)15-7-9-16(10-8-15)27(25,26)21(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide has a molecular weight of 395.53 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is sourced from PubChem (CID 110351370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).