N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide

C20H18N2O3S — CID 17464042

IUPACN-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-4-5-14(11-16)12-21-20(24)17-7-2-3-8-18(17)22-19(23)15-9-10-26-13-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyJETOJWSAAFSLQP-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 17464042) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID17464042
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-4-5-14(11-16)12-21-20(24)17-7-2-3-8-18(17)22-19(23)15-9-10-26-13-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyJETOJWSAAFSLQP-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 17464042) is N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide is COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is JETOJWSAAFSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-16-6-4-5-14(11-16)12-21-20(24)17-7-2-3-8-18(17)22-19(23)15-9-10-26-13-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 17464042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).