N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide

C24H19N3O3S — CID 141480933

IUPACN-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
SMILESO=C(Nc1cccc(O)c1)Nc1cc(NC(=O)c2ccccc2)ccc1-c1ccsc1
InChIInChI=1S/C24H19N3O3S/c28-20-8-4-7-18(13-20)26-24(30)27-22-14-19(9-10-21(22)17-11-12-31-15-17)25-23(29)16-5-2-1-3-6-16/h1-15,28H,(H,25,29)(H2,26,27,30)
InChIKeySJCQMXFFBOBUJM-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.02
Rot. Bonds5

About N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide

N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide (PubChem CID 141480933) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
PubChem CID141480933
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
SMILESO=C(Nc1cccc(O)c1)Nc1cc(NC(=O)c2ccccc2)ccc1-c1ccsc1
InChIInChI=1S/C24H19N3O3S/c28-20-8-4-7-18(13-20)26-24(30)27-22-14-19(9-10-21(22)17-11-12-31-15-17)25-23(29)16-5-2-1-3-6-16/h1-15,28H,(H,25,29)(H2,26,27,30)
InChIKeySJCQMXFFBOBUJM-UHFFFAOYSA-N
XLogP6.02
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
CID 141480922
3-hydroxy-N-thiophen-3-ylbenzamide
CID 66353330
1-(5-benzylsulfonyl-2-thiophen-3-ylphenyl)-3-(3,4-dimethylphenyl)urea
CID 159015703
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
4-benzamido-2-[4-(phenylcarbamoylamino)phenyl]benzenesulfonic acid
CID 170308775
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
3-(benzenesulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 171989498
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[5-[(cyclopropylamino)-hydroxymethyl]-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 134570362
1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101439

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The IUPAC name of N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide (CID 141480933) is N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide.
What is the SMILES notation for N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The canonical SMILES for N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide is O=C(Nc1cccc(O)c1)Nc1cc(NC(=O)c2ccccc2)ccc1-c1ccsc1.
What is the InChIKey of N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The InChIKey is SJCQMXFFBOBUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-20-8-4-7-18(13-20)26-24(30)27-22-14-19(9-10-21(22)17-11-12-31-15-17)25-23(29)16-5-2-1-3-6-16/h1-15,28H,(H,25,29)(H2,26,27,30).
What are the key properties of N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 6.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide is sourced from PubChem (CID 141480933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).