N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide

C39H34Cl2N6O7S4 — CID 70130170

IUPACN-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccsc3C(=O)Nc3cccc(Cl)c3)cccc12.Cc1noc(C)c1S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O3S2.C16H14ClN3O4S2/c1-27(2)20-10-4-9-18-17(20)8-5-11-21(18)32(29,30)26-19-12-13-31-22(19)23(28)25-16-7-3-6-15(24)14-16;1-9-15(10(2)24-19-9)26(22,23)20-13-6-7-25-14(13)16(21)18-12-5-3-4-11(17)8-12/h3-14,26H,1-2H3,(H,25,28);3-8,20H,1-2H3,(H,18,21)
InChIKeyFPGXIIWUIAKRAC-UHFFFAOYSA-N
MW897.91 g/mol
LogP9.73
Rot. Bonds11

About N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide

N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 70130170) has the molecular formula C39H34Cl2N6O7S4 and a molecular weight of 897.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide
PubChem CID70130170
Molecular FormulaC39H34Cl2N6O7S4
Molecular Weight897.91 g/mol
Exact Mass896.07
IUPAC NameN-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccsc3C(=O)Nc3cccc(Cl)c3)cccc12.Cc1noc(C)c1S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O3S2.C16H14ClN3O4S2/c1-27(2)20-10-4-9-18-17(20)8-5-11-21(18)32(29,30)26-19-12-13-31-22(19)23(28)25-16-7-3-6-15(24)14-16;1-9-15(10(2)24-19-9)26(22,23)20-13-6-7-25-14(13)16(21)18-12-5-3-4-11(17)8-12/h3-14,26H,1-2H3,(H,25,28);3-8,20H,1-2H3,(H,18,21)
InChIKeyFPGXIIWUIAKRAC-UHFFFAOYSA-N
XLogP9.73
TPSA179.81 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.91
LogP ≤ 59.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide (CID 70130170) is N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccsc3C(=O)Nc3cccc(Cl)c3)cccc12.Cc1noc(C)c1S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is FPGXIIWUIAKRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S2.C16H14ClN3O4S2/c1-27(2)20-10-4-9-18-17(20)8-5-11-21(18)32(29,30)26-19-12-13-31-22(19)23(28)25-16-7-3-6-15(24)14-16;1-9-15(10(2)24-19-9)26(22,23)20-13-6-7-25-14(13)16(21)18-12-5-3-4-11(17)8-12/h3-14,26H,1-2H3,(H,25,28);3-8,20H,1-2H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide?
N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 897.91 g/mol, XLogP of 9.73, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 70130170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).