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

C25H29N3O4S2 — CID 53316697

IUPAC4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)C2CCCC2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-27(2)25(29)19-10-8-18(9-11-19)24-26-20(17-33-24)16-28(21-6-4-5-7-21)34(30,31)23-14-12-22(32-3)13-15-23/h8-15,17,21H,4-7,16H2,1-3H3
InChIKeyMKBUSCBMDIFKTG-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.65
Rot. Bonds8

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

4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (PubChem CID 53316697) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
PubChem CID53316697
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)C2CCCC2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-27(2)25(29)19-10-8-18(9-11-19)24-26-20(17-33-24)16-28(21-6-4-5-7-21)34(30,31)23-14-12-22(32-3)13-15-23/h8-15,17,21H,4-7,16H2,1-3H3
InChIKeyMKBUSCBMDIFKTG-UHFFFAOYSA-N
XLogP4.65
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (CID 53316697) is 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)C2CCCC2)cc1.
What is the InChIKey of 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The InChIKey is MKBUSCBMDIFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-27(2)25(29)19-10-8-18(9-11-19)24-26-20(17-33-24)16-28(21-6-4-5-7-21)34(30,31)23-14-12-22(32-3)13-15-23/h8-15,17,21H,4-7,16H2,1-3H3.
What are the key properties of 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide has a molecular weight of 499.66 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 53316697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).