4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide

C13H17ClN2OS — CID 63035769

IUPAC4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
SMILESNC(=O)C(CCSc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C13H17ClN2OS/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17)
InChIKeyIIRIDLPBOYFKOZ-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.43
Rot. Bonds7

About 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide

4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide (PubChem CID 63035769) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
PubChem CID63035769
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
SMILESNC(=O)C(CCSc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C13H17ClN2OS/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17)
InChIKeyIIRIDLPBOYFKOZ-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
CID 63034668
2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
CID 63033420
methyl 4-(3-chlorophenyl)sulfanyl-2-(ethylamino)butanoate
CID 55142637
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
4-(3-chlorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63035233
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
4-(4-bromophenyl)sulfanyl-2-(cyclopropylamino)butanoic acid
CID 63035692
1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one
CID 46944826
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide?
The IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide (CID 63035769) is 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide?
The canonical SMILES for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide is NC(=O)C(CCSc1cccc(Cl)c1)NC1CC1.
What is the InChIKey of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide?
The InChIKey is IIRIDLPBOYFKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17).
What are the key properties of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide?
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide has a molecular weight of 284.81 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide is sourced from PubChem (CID 63035769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).