2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide

C18H21ClN2O3S — CID 30399426

IUPAC2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)16(9-11)13(3)20-18(22)15-8-7-14(10-17(15)19)21-25(4,23)24/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyUBGXIJPTIBPBME-CYBMUJFWSA-N
MW380.90 g/mol
LogP3.82
Rot. Bonds5

About 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide

2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 30399426) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID30399426
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)16(9-11)13(3)20-18(22)15-8-7-14(10-17(15)19)21-25(4,23)24/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyUBGXIJPTIBPBME-CYBMUJFWSA-N
XLogP3.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94018888
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 133189067
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 43916181
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide (CID 30399426) is 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide is Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is UBGXIJPTIBPBME-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-11-5-6-12(2)16(9-11)13(3)20-18(22)15-8-7-14(10-17(15)19)21-25(4,23)24/h5-10,13,21H,1-4H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 30399426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).