N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C27H29N3O4S — CID 43058083

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c2)c1
InChIInChI=1S/C27H29N3O4S/c1-17-5-4-6-23(15-17)30-35(33,34)24-14-7-18(2)25(16-24)27(32)28-19(3)20-10-12-22(13-11-20)29-26(31)21-8-9-21/h4-7,10-16,19,21,30H,8-9H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyJDRLGXRLQRAXPH-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.94
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 43058083) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID43058083
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c2)c1
InChIInChI=1S/C27H29N3O4S/c1-17-5-4-6-23(15-17)30-35(33,34)24-14-7-18(2)25(16-24)27(32)28-19(3)20-10-12-22(13-11-20)29-26(31)21-8-9-21/h4-7,10-16,19,21,30H,8-9H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyJDRLGXRLQRAXPH-UHFFFAOYSA-N
XLogP4.94
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657800
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 134031360
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24625202

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 43058083) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c2)c1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JDRLGXRLQRAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-17-5-4-6-23(15-17)30-35(33,34)24-14-7-18(2)25(16-24)27(32)28-19(3)20-10-12-22(13-11-20)29-26(31)21-8-9-21/h4-7,10-16,19,21,30H,8-9H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 491.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43058083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).