3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide

C21H21NO3S — CID 17488923

IUPAC3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(c2ccc(C)cc2)c2cccs2)c1
InChIInChI=1S/C21H21NO3S/c1-14-6-8-15(9-7-14)20(19-5-4-10-26-19)22-21(23)16-11-17(24-2)13-18(12-16)25-3/h4-13,20H,1-3H3,(H,22,23)
InChIKeyHCZUDPYMOAMUSJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.59
Rot. Bonds6

About 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide

3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 17488923) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID17488923
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(c2ccc(C)cc2)c2cccs2)c1
InChIInChI=1S/C21H21NO3S/c1-14-6-8-15(9-7-14)20(19-5-4-10-26-19)22-21(23)16-11-17(24-2)13-18(12-16)25-3/h4-13,20H,1-3H3,(H,22,23)
InChIKeyHCZUDPYMOAMUSJ-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
CID 24613812
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
4-ethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 24613770
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472551

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide (CID 17488923) is 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide is COc1cc(OC)cc(C(=O)NC(c2ccc(C)cc2)c2cccs2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is HCZUDPYMOAMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-14-6-8-15(9-7-14)20(19-5-4-10-26-19)22-21(23)16-11-17(24-2)13-18(12-16)25-3/h4-13,20H,1-3H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 17488923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).