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

C17H22ClN3O3S2 — CID 16944627

IUPAC2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H22ClN3O3S2/c1-4-10-21(11-5-2)16(22)15-12(3)19-17(25-15)20-26(23,24)14-8-6-13(18)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyXRYRBYSPIQSWFU-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.17
Rot. Bonds8

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

2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide (PubChem CID 16944627) has the molecular formula C17H22ClN3O3S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
PubChem CID16944627
Molecular FormulaC17H22ClN3O3S2
Molecular Weight415.97 g/mol
Exact Mass415.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H22ClN3O3S2/c1-4-10-21(11-5-2)16(22)15-12(3)19-17(25-15)20-26(23,24)14-8-6-13(18)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyXRYRBYSPIQSWFU-UHFFFAOYSA-N
XLogP4.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944479
2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 16944752
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16944742
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944745
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide (CID 16944627) is 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide is CCCN(CCC)C(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
The InChIKey is XRYRBYSPIQSWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S2/c1-4-10-21(11-5-2)16(22)15-12(3)19-17(25-15)20-26(23,24)14-8-6-13(18)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide has a molecular weight of 415.97 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).