2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C20H24N4O3S2 — CID 112830352

IUPAC2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H24N4O3S2/c1-13-6-9-16(10-18(13)29(26,27)23(4)5)21-19(25)11-17-12-28-20(22-17)24-14(2)7-8-15(24)3/h6-10,12H,11H2,1-5H3,(H,21,25)
InChIKeyLGVPNNJNLCAVBO-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.29
Rot. Bonds6

About 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 112830352) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID112830352
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H24N4O3S2/c1-13-6-9-16(10-18(13)29(26,27)23(4)5)21-19(25)11-17-12-28-20(22-17)24-14(2)7-8-15(24)3/h6-10,12H,11H2,1-5H3,(H,21,25)
InChIKeyLGVPNNJNLCAVBO-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 27872759
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 25477825
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062879
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 16500061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 112830352) is 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is LGVPNNJNLCAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-13-6-9-16(10-18(13)29(26,27)23(4)5)21-19(25)11-17-12-28-20(22-17)24-14(2)7-8-15(24)3/h6-10,12H,11H2,1-5H3,(H,21,25).
What are the key properties of 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 112830352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).