4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide

C19H15ClN2O2S — CID 71888540

IUPAC4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-7-12(8-10-15)17(16-2-1-11-25-16)22-19(24)14-5-3-13(4-6-14)18(21)23/h1-11,17H,(H2,21,23)(H,22,24)
InChIKeyMSDQBJUXAHZPAF-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.02
Rot. Bonds5

About 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide

4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide (PubChem CID 71888540) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
PubChem CID71888540
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-7-12(8-10-15)17(16-2-1-11-25-16)22-19(24)14-5-3-13(4-6-14)18(21)23/h1-11,17H,(H2,21,23)(H,22,24)
InChIKeyMSDQBJUXAHZPAF-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
CID 55751629
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide (CID 71888540) is 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide?
The InChIKey is MSDQBJUXAHZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-9-7-12(8-10-15)17(16-2-1-11-25-16)22-19(24)14-5-3-13(4-6-14)18(21)23/h1-11,17H,(H2,21,23)(H,22,24).
What are the key properties of 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 71888540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).