4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C18H22N2O4S — CID 42120084

IUPAC4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-5-10-17(24-3)16(11-12)13(2)19-18(21)14-6-8-15(9-7-14)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyUYHLSPNVELLPTC-ZDUSSCGKSA-N
MW362.45 g/mol
LogP2.87
Rot. Bonds6

About 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 42120084) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID42120084
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-5-10-17(24-3)16(11-12)13(2)19-18(21)14-6-8-15(9-7-14)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyUYHLSPNVELLPTC-ZDUSSCGKSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 42120084) is 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is UYHLSPNVELLPTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-5-10-17(24-3)16(11-12)13(2)19-18(21)14-6-8-15(9-7-14)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 42120084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).