N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide

C17H20ClN3O3S — CID 51333962

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-11-4-5-13(18)10-16(11)20-17(22)12(2)19-14-6-8-15(9-7-14)21-25(3,23)24/h4-10,12,19,21H,1-3H3,(H,20,22)
InChIKeyYTKRMFXCRQJSQJ-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.46
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide

N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide (PubChem CID 51333962) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
PubChem CID51333962
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-11-4-5-13(18)10-16(11)20-17(22)12(2)19-14-6-8-15(9-7-14)21-25(3,23)24/h4-10,12,19,21H,1-3H3,(H,20,22)
InChIKeyYTKRMFXCRQJSQJ-UHFFFAOYSA-N
XLogP3.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide
CID 46667088
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
(2S)-N-(5-chloro-2-methylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9249124
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide (CID 51333962) is N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The InChIKey is YTKRMFXCRQJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11-4-5-13(18)10-16(11)20-17(22)12(2)19-14-6-8-15(9-7-14)21-25(3,23)24/h4-10,12,19,21H,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide has a molecular weight of 381.89 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 51333962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).