N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide

C18H18N4O3S2 — CID 47784079

IUPACN-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-12-11-26-18(19-12)21-15-4-3-5-16(10-15)22-27(24,25)17-8-6-14(7-9-17)20-13(2)23/h3-11,22H,1-2H3,(H,19,21)(H,20,23)
InChIKeyAOZIECVTHGENGW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 47784079) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID47784079
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-12-11-26-18(19-12)21-15-4-3-5-16(10-15)22-27(24,25)17-8-6-14(7-9-17)20-13(2)23/h3-11,22H,1-2H3,(H,19,21)(H,20,23)
InChIKeyAOZIECVTHGENGW-UHFFFAOYSA-N
XLogP3.95
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814
N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582602
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
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CID 1026291
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
3-[3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907155
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide (CID 47784079) is N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc1.
What is the InChIKey of N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AOZIECVTHGENGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-12-11-26-18(19-12)21-15-4-3-5-16(10-15)22-27(24,25)17-8-6-14(7-9-17)20-13(2)23/h3-11,22H,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 47784079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).