N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide

C16H21N3O3S2 — CID 100773344

IUPACN-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1
InChIInChI=1S/C16H21N3O3S2/c1-4-5-6-12-7-9-13(10-8-12)18-15(20)14-11(2)17-16(23-14)19-24(3,21)22/h7-10H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXAWCYCJVHHMPNX-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.42
Rot. Bonds7

About N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 100773344) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID100773344
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1
InChIInChI=1S/C16H21N3O3S2/c1-4-5-6-12-7-9-13(10-8-12)18-15(20)14-11(2)17-16(23-14)19-24(3,21)22/h7-10H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXAWCYCJVHHMPNX-UHFFFAOYSA-N
XLogP3.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47031545
N-(4-butylphenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897189
2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 100772934
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594501
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
CID 133159057
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405718
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide (CID 100773344) is N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1ccc(NC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XAWCYCJVHHMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-4-5-6-12-7-9-13(10-8-12)18-15(20)14-11(2)17-16(23-14)19-24(3,21)22/h7-10H,4-6H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100773344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).