3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide

C13H18N2O3S — CID 113136332

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)15(12-7-8-12)10-9-13(16)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,16)
InChIKeyWXZMIGSRDGTKBB-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.44
Rot. Bonds6

About 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide (PubChem CID 113136332) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
PubChem CID113136332
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)15(12-7-8-12)10-9-13(16)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,16)
InChIKeyWXZMIGSRDGTKBB-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide (CID 113136332) is 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide?
The InChIKey is WXZMIGSRDGTKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)15(12-7-8-12)10-9-13(16)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,16).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113136332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).