N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide

C20H18N2O2S2 — CID 9483103

IUPACN-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H18N2O2S2/c23-19(21-12-14-25-17-5-2-1-3-6-17)15-8-10-16(11-9-15)22-20(24)18-7-4-13-26-18/h1-11,13H,12,14H2,(H,21,23)(H,22,24)
InChIKeyXRDPGSYMVOWWKR-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.52
Rot. Bonds7

About N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 9483103) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID9483103
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC NameN-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H18N2O2S2/c23-19(21-12-14-25-17-5-2-1-3-6-17)15-8-10-16(11-9-15)22-20(24)18-7-4-13-26-18/h1-11,13H,12,14H2,(H,21,23)(H,22,24)
InChIKeyXRDPGSYMVOWWKR-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(3-phenylsulfanylpropanoylamino)benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062981
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[3-[2-(4-methylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55386652
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27682888
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-[4-[2-(2-nitroanilino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9278900
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 9483103) is N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCCSc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is XRDPGSYMVOWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c23-19(21-12-14-25-17-5-2-1-3-6-17)15-8-10-16(11-9-15)22-20(24)18-7-4-13-26-18/h1-11,13H,12,14H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9483103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).