N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

C24H26N4O4S2 — CID 55490059

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)n2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-14-4-11-20(34(31,32)28-19-9-10-19)12-21(14)23(30)27-24-26-22(13-33-24)18-7-5-17(6-8-18)15(2)25-16(3)29/h4-8,11-13,15,19,28H,9-10H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyLFCGNNZHTWAQHM-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.01
Rot. Bonds8

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (PubChem CID 55490059) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
PubChem CID55490059
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)n2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-14-4-11-20(34(31,32)28-19-9-10-19)12-21(14)23(30)27-24-26-22(13-33-24)18-7-5-17(6-8-18)15(2)25-16(3)29/h4-8,11-13,15,19,28H,9-10H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyLFCGNNZHTWAQHM-UHFFFAOYSA-N
XLogP4.01
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55488992
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86933140
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469346

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (CID 55490059) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The InChIKey is LFCGNNZHTWAQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-14-4-11-20(34(31,32)28-19-9-10-19)12-21(14)23(30)27-24-26-22(13-33-24)18-7-5-17(6-8-18)15(2)25-16(3)29/h4-8,11-13,15,19,28H,9-10H2,1-3H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55490059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).