2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide

C17H26ClN3O2S — CID 5036041

IUPAC2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C17H26ClN3O2S/c1-4-21(5-2)11-10-19-17(23)16(20-13(3)22)12-24-15-8-6-14(18)7-9-15/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyYSPAWKKPVYRBOS-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.39
Rot. Bonds10

About 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide

2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 5036041) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
PubChem CID5036041
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C17H26ClN3O2S/c1-4-21(5-2)11-10-19-17(23)16(20-13(3)22)12-24-15-8-6-14(18)7-9-15/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyYSPAWKKPVYRBOS-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 3306259
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 5187487
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
CID 3275957
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
(2S)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259022
(2R)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259028
2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3349551
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide (CID 5036041) is 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is YSPAWKKPVYRBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2S/c1-4-21(5-2)11-10-19-17(23)16(20-13(3)22)12-24-15-8-6-14(18)7-9-15/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide?
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 371.93 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 5036041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).