[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid

C16H12N2O4S — CID 18455659

IUPAC[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C16H12N2O4S/c19-10-5-6-13-9(7-10)8-14(23-13)15(20)17-11-3-1-2-4-12(11)18-16(21)22/h1-8,18-19H,(H,17,20)(H,21,22)
InChIKeyKLRFXMMMLBOKLJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.95
Rot. Bonds3

About [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid

[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid (PubChem CID 18455659) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid
PubChem CID18455659
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C16H12N2O4S/c19-10-5-6-13-9(7-10)8-14(23-13)15(20)17-11-3-1-2-4-12(11)18-16(21)22/h1-8,18-19H,(H,17,20)(H,21,22)
InChIKeyKLRFXMMMLBOKLJ-UHFFFAOYSA-N
XLogP3.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44536848
3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide
CID 122194307
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-5-hydroxy-1-benzothiophene-2-carboxamide
CID 44296180
N-[3-[[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527587
(2S)-1-(5,6-dihydroxy-1-benzothiophene-2-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 164616638
5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide
CID 164618683
N-(4-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518253
N-(3-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518285
5-(4-hydroxyphenyl)-N-phenylthiophene-2-carboxamide
CID 137518305
5-(3-hydroxyphenyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 137518458
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
5-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
CID 137646460

Frequently Asked Questions

What is the IUPAC name of [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid?
The IUPAC name of [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid (CID 18455659) is [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid?
The canonical SMILES for [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid is O=C(O)Nc1ccccc1NC(=O)c1cc2cc(O)ccc2s1.
What is the InChIKey of [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid?
The InChIKey is KLRFXMMMLBOKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-10-5-6-13-9(7-10)8-14(23-13)15(20)17-11-3-1-2-4-12(11)18-16(21)22/h1-8,18-19H,(H,17,20)(H,21,22).
What are the key properties of [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid?
[2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid has a molecular weight of 328.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-hydroxy-1-benzothiophene-2-carbonyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 18455659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).