N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C18H17N3O4S2 — CID 42109085

IUPACN-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-7-9-15(10-8-14)27(23,24)21-18-20-16(12-26-18)17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyBCXFWFYUCTXVNL-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.88
Rot. Bonds7

About N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 42109085) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID42109085
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-7-9-15(10-8-14)27(23,24)21-18-20-16(12-26-18)17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyBCXFWFYUCTXVNL-UHFFFAOYSA-N
XLogP2.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 42109085) is N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is BCXFWFYUCTXVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-14-7-9-15(10-8-14)27(23,24)21-18-20-16(12-26-18)17(22)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42109085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).