N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide

C18H13N3O4S4 — CID 71661712

IUPACN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1)c1cccs1
InChIInChI=1S/C18H13N3O4S4/c22-17(15-3-1-5-26-15)19-12-7-11(14-10-28-18(23)20-14)8-13(9-12)21-29(24,25)16-4-2-6-27-16/h1-10,21H,(H,19,22)(H,20,23)
InChIKeyNYMSTPKLCDJANI-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.28
Rot. Bonds6

About N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide

N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 71661712) has the molecular formula C18H13N3O4S4 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide
PubChem CID71661712
Molecular FormulaC18H13N3O4S4
Molecular Weight463.59 g/mol
Exact Mass462.98
IUPAC NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1)c1cccs1
InChIInChI=1S/C18H13N3O4S4/c22-17(15-3-1-5-26-15)19-12-7-11(14-10-28-18(23)20-14)8-13(9-12)21-29(24,25)16-4-2-6-27-16/h1-10,21H,(H,19,22)(H,20,23)
InChIKeyNYMSTPKLCDJANI-UHFFFAOYSA-N
XLogP4.28
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide (CID 71661712) is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1)c1cccs1.
What is the InChIKey of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is NYMSTPKLCDJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S4/c22-17(15-3-1-5-26-15)19-12-7-11(14-10-28-18(23)20-14)8-13(9-12)21-29(24,25)16-4-2-6-27-16/h1-10,21H,(H,19,22)(H,20,23).
What are the key properties of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide?
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71661712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).