N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide

C20H18N2O3S — CID 4304532

IUPACN-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1cccs1
InChIInChI=1S/C20H18N2O3S/c1-13-11-16(22-20(24)18-9-6-10-26-18)17(25-2)12-15(13)21-19(23)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyNRMBCCQYIZSBFS-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.57
Rot. Bonds5

About N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide

N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 4304532) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
PubChem CID4304532
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1cccs1
InChIInChI=1S/C20H18N2O3S/c1-13-11-16(22-20(24)18-9-6-10-26-18)17(25-2)12-15(13)21-19(23)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyNRMBCCQYIZSBFS-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55755853
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-[5-[(4-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449430
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
CID 16551146
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide (CID 4304532) is N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is NRMBCCQYIZSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-11-16(22-20(24)18-9-6-10-26-18)17(25-2)12-15(13)21-19(23)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide?
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4304532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).