3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C21H25N3O4S — CID 55617470

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C21H25N3O4S/c1-14(2)20(25)23-17-6-4-7-18(12-17)24-21(26)16-5-3-8-19(11-16)29(27,28)22-13-15-9-10-15/h3-8,11-12,14-15,22H,9-10,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCDDLHDQNPGMEIF-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.22
Rot. Bonds8

About 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 55617470) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID55617470
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C21H25N3O4S/c1-14(2)20(25)23-17-6-4-7-18(12-17)24-21(26)16-5-3-8-19(11-16)29(27,28)22-13-15-9-10-15/h3-8,11-12,14-15,22H,9-10,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCDDLHDQNPGMEIF-UHFFFAOYSA-N
XLogP3.22
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 55617470) is 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is CDDLHDQNPGMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14(2)20(25)23-17-6-4-7-18(12-17)24-21(26)16-5-3-8-19(11-16)29(27,28)22-13-15-9-10-15/h3-8,11-12,14-15,22H,9-10,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55617470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).