3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide

C17H26ClNOS — CID 102914732

IUPAC3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C)C(CNC(=O)CCSc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H26ClNOS/c1-12(2)16(13(3)4)11-19-17(20)9-10-21-15-7-5-14(18)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,20)
InChIKeyDIEFRGBMMKZLKA-UHFFFAOYSA-N
MW327.92 g/mol
LogP4.87
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide (PubChem CID 102914732) has the molecular formula C17H26ClNOS and a molecular weight of 327.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
PubChem CID102914732
Molecular FormulaC17H26ClNOS
Molecular Weight327.92 g/mol
Exact Mass327.14
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C)C(CNC(=O)CCSc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H26ClNOS/c1-12(2)16(13(3)4)11-19-17(20)9-10-21-15-7-5-14(18)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,20)
InChIKeyDIEFRGBMMKZLKA-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3,3-dimethylbutyl]butanamide
CID 96542840
3-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
CID 79252540
2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 43091873
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
4-(4-chlorophenyl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100571985
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
4-(4-chlorophenyl)sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 27742915
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
(2S)-2-[[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695335

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide (CID 102914732) is 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide is CC(C)C(CNC(=O)CCSc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The InChIKey is DIEFRGBMMKZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNOS/c1-12(2)16(13(3)4)11-19-17(20)9-10-21-15-7-5-14(18)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide has a molecular weight of 327.92 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide is sourced from PubChem (CID 102914732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).