N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide

C19H21N3O4S — CID 17491912

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H21N3O4S/c1-20-27(25,26)17-7-3-5-15(11-17)18(23)21-12-13-4-2-6-16(10-13)22-19(24)14-8-9-14/h2-7,10-11,14,20H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyJBCWUASUTDRIAE-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.87
Rot. Bonds7

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 17491912) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
PubChem CID17491912
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H21N3O4S/c1-20-27(25,26)17-7-3-5-15(11-17)18(23)21-12-13-4-2-6-16(10-13)22-19(24)14-8-9-14/h2-7,10-11,14,20H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyJBCWUASUTDRIAE-UHFFFAOYSA-N
XLogP1.87
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656434
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide (CID 17491912) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is JBCWUASUTDRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-20-27(25,26)17-7-3-5-15(11-17)18(23)21-12-13-4-2-6-16(10-13)22-19(24)14-8-9-14/h2-7,10-11,14,20H,8-9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 17491912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).