N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide

C14H20ClN3O4S — CID 14695771

IUPACN-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H20ClN3O4S/c1-9(2)14(3,17-13(20)16-4)12(19)18-23(21,22)11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyNFCROUHGOLYEFP-UHFFFAOYSA-N
MW361.85 g/mol
LogP1.49
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide

N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide (PubChem CID 14695771) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
PubChem CID14695771
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC NameN-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H20ClN3O4S/c1-9(2)14(3,17-13(20)16-4)12(19)18-23(21,22)11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyNFCROUHGOLYEFP-UHFFFAOYSA-N
XLogP1.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139084564
1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
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N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 2830707
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 55941880
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide
CID 91382068
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide (CID 14695771) is N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide is CNC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide?
The InChIKey is NFCROUHGOLYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-9(2)14(3,17-13(20)16-4)12(19)18-23(21,22)11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide?
N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide has a molecular weight of 361.85 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide is sourced from PubChem (CID 14695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).