3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

C15H17ClN2O3S2 — CID 110620250

IUPAC3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C15H17ClN2O3S2/c1-11-18-13(10-22-11)5-7-17-15(19)6-8-23(20,21)14-4-2-3-12(16)9-14/h2-4,9-10H,5-8H2,1H3,(H,17,19)
InChIKeyGLJAMQIDONCURX-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.63
Rot. Bonds7

About 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110620250) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110620250
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C15H17ClN2O3S2/c1-11-18-13(10-22-11)5-7-17-15(19)6-8-23(20,21)14-4-2-3-12(16)9-14/h2-4,9-10H,5-8H2,1H3,(H,17,19)
InChIKeyGLJAMQIDONCURX-UHFFFAOYSA-N
XLogP2.63
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
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3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
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3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
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N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
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1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94172228
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
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3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
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N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
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5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724
1-[3-(benzenesulfonyl)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110620250) is 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1nc(CCNC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cs1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is GLJAMQIDONCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-11-18-13(10-22-11)5-7-17-15(19)6-8-23(20,21)14-4-2-3-12(16)9-14/h2-4,9-10H,5-8H2,1H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 372.90 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110620250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).