N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H24N4O4S2 — CID 53321939

IUPACN-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3cccnc3)n2)C2CCCC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-30-19-8-10-20(11-9-19)32(28,29)26(18-6-2-3-7-18)14-17-15-31-22(24-17)25-21(27)16-5-4-12-23-13-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,24,25,27)
InChIKeyYNZZPSFBVUYMHB-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 53321939) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID53321939
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC NameN-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3cccnc3)n2)C2CCCC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-30-19-8-10-20(11-9-19)32(28,29)26(18-6-2-3-7-18)14-17-15-31-22(24-17)25-21(27)16-5-4-12-23-13-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,24,25,27)
InChIKeyYNZZPSFBVUYMHB-UHFFFAOYSA-N
XLogP3.93
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 53321939) is N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)N(Cc2csc(NC(=O)c3cccnc3)n2)C2CCCC2)cc1.
What is the InChIKey of N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is YNZZPSFBVUYMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-30-19-8-10-20(11-9-19)32(28,29)26(18-6-2-3-7-18)14-17-15-31-22(24-17)25-21(27)16-5-4-12-23-13-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,24,25,27).
What are the key properties of N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53321939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).