2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide

C17H21ClN2O2S — CID 3275957

IUPAC2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C17H21ClN2O2S/c1-4-10-20(11-5-2)17(22)16(19-13(3)21)12-23-15-8-6-14(18)7-9-15/h4-9,16H,1-2,10-12H2,3H3,(H,19,21)
InChIKeyIJEXEAKIEXVSFJ-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.14
Rot. Bonds9

About 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide

2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide (PubChem CID 3275957) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
PubChem CID3275957
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C17H21ClN2O2S/c1-4-10-20(11-5-2)17(22)16(19-13(3)21)12-23-15-8-6-14(18)7-9-15/h4-9,16H,1-2,10-12H2,3H3,(H,19,21)
InChIKeyIJEXEAKIEXVSFJ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
CID 5036041
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 5187487
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 3306259
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 4030996
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
CID 3435227
2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 13025695
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide (CID 3275957) is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(CSc1ccc(Cl)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is IJEXEAKIEXVSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-4-10-20(11-5-2)17(22)16(19-13(3)21)12-23-15-8-6-14(18)7-9-15/h4-9,16H,1-2,10-12H2,3H3,(H,19,21).
What are the key properties of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide?
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 352.89 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 3275957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).