N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide

C11H13ClN2OS — CID 62667824

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
SMILESNC(=S)CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15)
InChIKeyCOUKOIOYLNKDGT-UHFFFAOYSA-N
MW256.76 g/mol
LogP1.67
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide (PubChem CID 62667824) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
PubChem CID62667824
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
SMILESNC(=S)CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15)
InChIKeyCOUKOIOYLNKDGT-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
1-(3-amino-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 62667276
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[(3-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309839
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
N-(4-amino-4-sulfanylidenebutyl)-2-(3,4-dimethylphenyl)acetamide
CID 62667726
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide (CID 62667824) is N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide is NC(=S)CCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is COUKOIOYLNKDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 256.76 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 62667824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).