N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

C20H29N3O3S2 — CID 16944777

IUPACN,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C20H29N3O3S2/c1-5-7-13-23(14-8-6-2)19(24)18-16(4)21-20(27-18)22-28(25,26)17-11-9-15(3)10-12-17/h9-12H,5-8,13-14H2,1-4H3,(H,21,22)
InChIKeyAYICYABAQBJZIM-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.60
Rot. Bonds10

About N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16944777) has the molecular formula C20H29N3O3S2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
PubChem CID16944777
Molecular FormulaC20H29N3O3S2
Molecular Weight423.60 g/mol
Exact Mass423.17
IUPAC NameN,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C20H29N3O3S2/c1-5-7-13-23(14-8-6-2)19(24)18-16(4)21-20(27-18)22-28(25,26)17-11-9-15(3)10-12-17/h9-12H,5-8,13-14H2,1-4H3,(H,21,22)
InChIKeyAYICYABAQBJZIM-UHFFFAOYSA-N
XLogP4.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944479
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 16944627
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488377

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (CID 16944777) is N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is CCCCN(CCCC)C(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C.
What is the InChIKey of N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is AYICYABAQBJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S2/c1-5-7-13-23(14-8-6-2)19(24)18-16(4)21-20(27-18)22-28(25,26)17-11-9-15(3)10-12-17/h9-12H,5-8,13-14H2,1-4H3,(H,21,22).
What are the key properties of N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 423.60 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).