3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide

C17H27N3O3S — CID 113136395

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H27N3O3S/c1-4-19(5-2)15-8-6-14(7-9-15)18-17(21)12-13-20(16-10-11-16)24(3,22)23/h6-9,16H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyPBIRIWUCCAGXPF-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.29
Rot. Bonds9

About 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 113136395) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
PubChem CID113136395
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H27N3O3S/c1-4-19(5-2)15-8-6-14(7-9-15)18-17(21)12-13-20(16-10-11-16)24(3,22)23/h6-9,16H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyPBIRIWUCCAGXPF-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
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-(3-methylphenyl)propanamide
CID 113136334
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
CID 84566697
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
3-[cyclopropyl(methylsulfonyl)amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113136412

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide (CID 113136395) is 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C2CC2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is PBIRIWUCCAGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-19(5-2)15-8-6-14(7-9-15)18-17(21)12-13-20(16-10-11-16)24(3,22)23/h6-9,16H,4-5,10-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 353.49 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 113136395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).