N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide

C16H18N2O3S — CID 27299317

IUPACN-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12(13-6-4-3-5-7-13)18-22(20,21)15-10-8-14(9-11-15)16(19)17-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNZVVCDHWJRCQSK-GFCCVEGCSA-N
MW318.40 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide

N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide (PubChem CID 27299317) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
PubChem CID27299317
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12(13-6-4-3-5-7-13)18-22(20,21)15-10-8-14(9-11-15)16(19)17-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNZVVCDHWJRCQSK-GFCCVEGCSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
(2S,3S)-3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]pentanoic acid
CID 119418115
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide (CID 27299317) is N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The InChIKey is NZVVCDHWJRCQSK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12(13-6-4-3-5-7-13)18-22(20,21)15-10-8-14(9-11-15)16(19)17-2/h3-12,18H,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 27299317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).