4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

C18H18N4O3S2 — CID 86962252

IUPAC4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1nccs1
InChIInChI=1S/C18H18N4O3S2/c1-18(2,17-20-11-12-26-17)21-16(23)13-3-5-15(6-4-13)27(24,25)22-14-7-9-19-10-8-14/h3-12H,1-2H3,(H,19,22)(H,21,23)
InChIKeyBYBGNRYQTYVDSI-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.00
Rot. Bonds6

About 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 86962252) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID86962252
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1nccs1
InChIInChI=1S/C18H18N4O3S2/c1-18(2,17-20-11-12-26-17)21-16(23)13-3-5-15(6-4-13)27(24,25)22-14-7-9-19-10-8-14/h3-12H,1-2H3,(H,19,22)(H,21,23)
InChIKeyBYBGNRYQTYVDSI-UHFFFAOYSA-N
XLogP3.00
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 86961916
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 86962252) is 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1nccs1.
What is the InChIKey of 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is BYBGNRYQTYVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-18(2,17-20-11-12-26-17)21-16(23)13-3-5-15(6-4-13)27(24,25)22-14-7-9-19-10-8-14/h3-12H,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86962252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).