3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide

C18H18N2O4S — CID 33156436

IUPAC3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)16-7-3-6-15(11-16)20-18(22)13-4-2-5-14(10-13)19-17(21)12-8-9-12/h2-7,10-12H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWPNMXDZWMIUGKU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.69
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide

3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 33156436) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
PubChem CID33156436
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C18H18N2O4S/c1-25(23,24)16-7-3-6-15(11-16)20-18(22)13-4-2-5-14(10-13)19-17(21)12-8-9-12/h2-7,10-12H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWPNMXDZWMIUGKU-UHFFFAOYSA-N
XLogP2.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide (CID 33156436) is 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is WPNMXDZWMIUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-25(23,24)16-7-3-6-15(11-16)20-18(22)13-4-2-5-14(10-13)19-17(21)12-8-9-12/h2-7,10-12H,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 33156436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).