N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C16H11ClN2O3S — CID 574029

IUPACN-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1Cl)c1ccco1
InChIInChI=1S/C16H11ClN2O3S/c17-11-9-10(18-16(21)14-4-2-8-23-14)5-6-12(11)19-15(20)13-3-1-7-22-13/h1-9H,(H,18,21)(H,19,20)
InChIKeyZDVWKSPXFRCDPN-UHFFFAOYSA-N
MW346.80 g/mol
LogP4.50
Rot. Bonds4

About N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 574029) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID574029
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC NameN-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1Cl)c1ccco1
InChIInChI=1S/C16H11ClN2O3S/c17-11-9-10(18-16(21)14-4-2-8-23-14)5-6-12(11)19-15(20)13-3-1-7-22-13/h1-9H,(H,18,21)(H,19,20)
InChIKeyZDVWKSPXFRCDPN-UHFFFAOYSA-N
XLogP4.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1016196
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-(4-amino-2-chlorophenyl)furan-2-carboxamide
CID 721121
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 2893041
4-(2-Furoylamino)phenyl 2-thiophenecarboxylate
CID 650822
N-{4-[(thiophen-2-ylacetyl)amino]phenyl}furan-2-carboxamide
CID 653038
N-{4-[(2-thienylcarbonyl)amino]phenyl}-2-furamide
CID 738697
N-{3-[(2-thienylcarbonyl)amino]phenyl}-2-furamide
CID 763427
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
CID 772865
N-[4-({[(4-chlorophenyl)sulfanyl]acetyl}amino)phenyl]furan-2-carboxamide
CID 1093497
N-[2-chloro-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 1132512

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 574029) is N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is ZDVWKSPXFRCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-11-9-10(18-16(21)14-4-2-8-23-14)5-6-12(11)19-15(20)13-3-1-7-22-13/h1-9H,(H,18,21)(H,19,20).
What are the key properties of N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 574029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).