N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide

C13H18ClNOS — CID 2889769

IUPACN-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C13H18ClNOS/c1-3-10(2)15-13(16)9-17-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAJMCVXFMQUUROH-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.49
Rot. Bonds6

About N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide

N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 2889769) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
PubChem CID2889769
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C13H18ClNOS/c1-3-10(2)15-13(16)9-17-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAJMCVXFMQUUROH-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
N-[(2S)-butan-2-yl]-2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 99824619
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
(2R)-2-[benzyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100641231
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632
(2R)-N-[(2R)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677923
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide (CID 2889769) is N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide is CCC(C)NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is AJMCVXFMQUUROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-3-10(2)15-13(16)9-17-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide?
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 271.81 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2889769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).