4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide

C12H17ClN2OS — CID 63035351

IUPAC4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide
SMILESCCNC(CCSc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C12H17ClN2OS/c1-2-15-11(12(14)16)7-8-17-10-5-3-9(13)4-6-10/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16)
InChIKeySWUVDAXAFQUMPD-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.29
Rot. Bonds7

About 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide

4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide (PubChem CID 63035351) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide
PubChem CID63035351
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide
SMILESCCNC(CCSc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C12H17ClN2OS/c1-2-15-11(12(14)16)7-8-17-10-5-3-9(13)4-6-10/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16)
InChIKeySWUVDAXAFQUMPD-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-4-(4-propan-2-ylphenyl)sulfanylbutanoate
CID 63034491
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(ethylamino)butanamide
CID 115478922
methyl 4-(3-chlorophenyl)sulfanyl-2-(ethylamino)butanoate
CID 55142637
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
4-benzylsulfanyl-2-(ethylamino)butanamide
CID 63034827
methyl 2-(ethylamino)-4-(4-methylsulfonylphenyl)sulfanylbutanoate
CID 63237839
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
diethyl 2-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]propanedioate
CID 2923934
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide (CID 63035351) is 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide is CCNC(CCSc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide?
The InChIKey is SWUVDAXAFQUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-2-15-11(12(14)16)7-8-17-10-5-3-9(13)4-6-10/h3-6,11,15H,2,7-8H2,1H3,(H2,14,16).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide?
4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide has a molecular weight of 272.80 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide is sourced from PubChem (CID 63035351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).