N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H20N2O4S — CID 8935656

IUPACN-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-10-18(11-9-17)27-13-12-22-20(24)15-4-6-16(7-5-15)23-21(25)19-3-2-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUZMTCDLGUATHG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.82
Rot. Bonds8

About N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 8935656) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID8935656
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-10-18(11-9-17)27-13-12-22-20(24)15-4-6-16(7-5-15)23-21(25)19-3-2-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUZMTCDLGUATHG-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27682888
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
N-[2-[[4-[(3-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063056
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
CID 9441875

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 8935656) is N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(OCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WUZMTCDLGUATHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-17-8-10-18(11-9-17)27-13-12-22-20(24)15-4-6-16(7-5-15)23-21(25)19-3-2-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 8935656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).