N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide

C18H20ClNOS — CID 889834

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFLJWTCYLOABMRP-ZDUSSCGKSA-N
MW333.88 g/mol
LogP5.58
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 889834) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID889834
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFLJWTCYLOABMRP-ZDUSSCGKSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 9167151
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 2959939
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-(2-butan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4223657
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7845285

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 889834) is N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide is CC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is FLJWTCYLOABMRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 333.88 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 889834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).