2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide

C18H27ClN2O3S — CID 3306259

IUPAC2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCCCCOCCCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C18H27ClN2O3S/c1-3-4-11-24-12-5-10-20-18(23)17(21-14(2)22)13-25-16-8-6-15(19)7-9-16/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGBLYUILXYRBONN-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.26
Rot. Bonds12

About 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide

2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 3306259) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID3306259
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCCCCOCCCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O
InChIInChI=1S/C18H27ClN2O3S/c1-3-4-11-24-12-5-10-20-18(23)17(21-14(2)22)13-25-16-8-6-15(19)7-9-16/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGBLYUILXYRBONN-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
CID 5036041
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 5187487
(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
CID 7099535
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
(2R)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259028
(2S)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259022
2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3349551
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
CID 3275957

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 3306259) is 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide is CCCCOCCCNC(=O)C(CSc1ccc(Cl)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is GBLYUILXYRBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-3-4-11-24-12-5-10-20-18(23)17(21-14(2)22)13-25-16-8-6-15(19)7-9-16/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide?
2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 386.95 g/mol, XLogP of 3.26, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-butoxypropyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3306259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).