N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C18H16N2O2S2 — CID 55766242

IUPACN-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N2O2S2/c21-17(19-11-14-7-9-23-12-14)15-5-3-13(4-6-15)10-20-18(22)16-2-1-8-24-16/h1-9,12H,10-11H2,(H,19,21)(H,20,22)
InChIKeySYVDFHYFSRPYMX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.67
Rot. Bonds6

About N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55766242) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55766242
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N2O2S2/c21-17(19-11-14-7-9-23-12-14)15-5-3-13(4-6-15)10-20-18(22)16-2-1-8-24-16/h1-9,12H,10-11H2,(H,19,21)(H,20,22)
InChIKeySYVDFHYFSRPYMX-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-benzylthiophene-2-carboxamide
CID 574227
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
(2S)-4-methyl-2-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]pentanoic acid
CID 119361616
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 87043723
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46490718
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133

Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 55766242) is N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccsc1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is SYVDFHYFSRPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-17(19-11-14-7-9-23-12-14)15-5-3-13(4-6-15)10-20-18(22)16-2-1-8-24-16/h1-9,12H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55766242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).