N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C16H16N2O2S3 — CID 50846960

IUPACN-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n1
InChIInChI=1S/C16H16N2O2S3/c1-11(2)13-10-21-16(17-13)14-8-9-15(22-14)23(19,20)18-12-6-4-3-5-7-12/h3-11,18H,1-2H3
InChIKeyCKAIHZQPYUHHQY-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.80
Rot. Bonds5

About N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50846960) has the molecular formula C16H16N2O2S3 and a molecular weight of 364.52 g/mol. Its IUPAC name is N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50846960
Molecular FormulaC16H16N2O2S3
Molecular Weight364.52 g/mol
Exact Mass364.04
IUPAC NameN-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n1
InChIInChI=1S/C16H16N2O2S3/c1-11(2)13-10-21-16(17-13)14-8-9-15(22-14)23(19,20)18-12-6-4-3-5-7-12/h3-11,18H,1-2H3
InChIKeyCKAIHZQPYUHHQY-UHFFFAOYSA-N
XLogP4.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 95058242
N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835233
N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846922
5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carbaldehyde
CID 165458826
5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106267684
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083788
N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide
CID 91445295
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50846960) is N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CC(C)c1csc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n1.
What is the InChIKey of N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is CKAIHZQPYUHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S3/c1-11(2)13-10-21-16(17-13)14-8-9-15(22-14)23(19,20)18-12-6-4-3-5-7-12/h3-11,18H,1-2H3.
What are the key properties of N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 364.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50846960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).