N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C27H21N3O5S4 — CID 2354546

IUPACN-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C27H21N3O5S4/c31-27(28-24-11-5-4-10-23(24)19-8-2-1-3-9-19)20-16-21(29-38(32,33)25-12-6-14-36-25)18-22(17-20)30-39(34,35)26-13-7-15-37-26/h1-18,29-30H,(H,28,31)
InChIKeyVYDJZZQQYLTGLN-UHFFFAOYSA-N
MW595.75 g/mol
LogP6.33
Rot. Bonds9

About N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2354546) has the molecular formula C27H21N3O5S4 and a molecular weight of 595.75 g/mol. Its IUPAC name is N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2354546
Molecular FormulaC27H21N3O5S4
Molecular Weight595.75 g/mol
Exact Mass595.04
IUPAC NameN-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C27H21N3O5S4/c31-27(28-24-11-5-4-10-23(24)19-8-2-1-3-9-19)20-16-21(29-38(32,33)25-12-6-14-36-25)18-22(17-20)30-39(34,35)26-13-7-15-37-26/h1-18,29-30H,(H,28,31)
InChIKeyVYDJZZQQYLTGLN-UHFFFAOYSA-N
XLogP6.33
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 6519249
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55989925
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988
3-(carbamoylamino)-N-(2-phenylphenyl)benzamide
CID 78767991
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
methyl 2-hydroxy-3-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]benzoate
CID 56543247

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 2354546) is N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VYDJZZQQYLTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5S4/c31-27(28-24-11-5-4-10-23(24)19-8-2-1-3-9-19)20-16-21(29-38(32,33)25-12-6-14-36-25)18-22(17-20)30-39(34,35)26-13-7-15-37-26/h1-18,29-30H,(H,28,31).
What are the key properties of N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 595.75 g/mol, XLogP of 6.33, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2354546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).