3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

C20H22N2O2S — CID 36784446

IUPAC3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-22(13-14-6-10-18(25-2)11-7-14)20(24)16-4-3-5-17(12-16)21-19(23)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyULACHFYCEMAIFR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.03
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 36784446) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID36784446
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-22(13-14-6-10-18(25-2)11-7-14)20(24)16-4-3-5-17(12-16)21-19(23)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyULACHFYCEMAIFR-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
methyl 4-[[3-(cyclopropanecarbonylamino)benzoyl]-methylamino]butanoate
CID 39491124
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56588395
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
1-methyl-3-(3-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]urea
CID 27868795

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 36784446) is 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is ULACHFYCEMAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-22(13-14-6-10-18(25-2)11-7-14)20(24)16-4-3-5-17(12-16)21-19(23)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,23).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 354.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 36784446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).