3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide

C14H19ClN2OS — CID 63916885

IUPAC3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CSc1ccc(Cl)cc1)(C(N)=O)C1CC1
InChIInChI=1S/C14H19ClN2OS/c1-2-17-14(13(16)18,10-3-4-10)9-19-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyCTMAACXFJXHISW-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.68
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide

3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide (PubChem CID 63916885) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
PubChem CID63916885
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CSc1ccc(Cl)cc1)(C(N)=O)C1CC1
InChIInChI=1S/C14H19ClN2OS/c1-2-17-14(13(16)18,10-3-4-10)9-19-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyCTMAACXFJXHISW-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 63917288
2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 63920250
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925112
3-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(methylamino)propanamide
CID 114791773
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide (CID 63916885) is 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide is CCNC(CSc1ccc(Cl)cc1)(C(N)=O)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The InChIKey is CTMAACXFJXHISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-2-17-14(13(16)18,10-3-4-10)9-19-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide has a molecular weight of 298.84 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide is sourced from PubChem (CID 63916885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).