N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C19H23ClN2O4S — CID 9218502

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13(12-26-3)22-27(24,25)18-10-6-16(7-11-18)19(23)21-14(2)15-4-8-17(20)9-5-15/h4-11,13-14,22H,12H2,1-3H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyCIUBJVNCAFAWMO-ZIAGYGMSSA-N
MW410.92 g/mol
LogP3.14
Rot. Bonds8

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 9218502) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID9218502
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13(12-26-3)22-27(24,25)18-10-6-16(7-11-18)19(23)21-14(2)15-4-8-17(20)9-5-15/h4-11,13-14,22H,12H2,1-3H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyCIUBJVNCAFAWMO-ZIAGYGMSSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 41170336
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 9296974
N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
CID 42910827
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
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-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
methyl 3-(4-chlorophenyl)-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439645

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 9218502) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is CIUBJVNCAFAWMO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13(12-26-3)22-27(24,25)18-10-6-16(7-11-18)19(23)21-14(2)15-4-8-17(20)9-5-15/h4-11,13-14,22H,12H2,1-3H3,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 9218502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).