N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C19H18ClN3O4S2 — CID 108782675

IUPACN-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C19H18ClN3O4S2/c1-12(24)21-10-13-3-5-14(6-4-13)16-11-28-19(22-16)23-29(25,26)18-9-15(20)7-8-17(18)27-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJPLUBKUJPDDLPY-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.91
Rot. Bonds7

About N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 108782675) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID108782675
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC NameN-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C19H18ClN3O4S2/c1-12(24)21-10-13-3-5-14(6-4-13)16-11-28-19(22-16)23-29(25,26)18-9-15(20)7-8-17(18)27-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJPLUBKUJPDDLPY-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782677
N-[[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782673
2-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxybenzenesulfonamide
CID 112773655
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 108782675) is N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1.
What is the InChIKey of N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is JPLUBKUJPDDLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c1-12(24)21-10-13-3-5-14(6-4-13)16-11-28-19(22-16)23-29(25,26)18-9-15(20)7-8-17(18)27-2/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 451.96 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).