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

C21H20N2O3S — CID 29335398

IUPACN-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-26-18-8-2-5-15(13-18)10-11-20(24)22-16-6-3-7-17(14-16)23-21(25)19-9-4-12-27-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyKDRPNLNIZUNQKQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.58
Rot. Bonds7

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

N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 29335398) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
PubChem CID29335398
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-26-18-8-2-5-15(13-18)10-11-20(24)22-16-6-3-7-17(14-16)23-21(25)19-9-4-12-27-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyKDRPNLNIZUNQKQ-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
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CID 36568159
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide
CID 24955902
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide (CID 29335398) is N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide is COc1cccc(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is KDRPNLNIZUNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-18-8-2-5-15(13-18)10-11-20(24)22-16-6-3-7-17(14-16)23-21(25)19-9-4-12-27-19/h2-9,12-14H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 29335398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).