N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C26H22N2O4S — CID 17111332

IUPACN-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C26H22N2O4S/c1-31-23-16-20(12-13-22(23)28-26(30)24-11-6-14-33-24)27-25(29)19-9-5-10-21(15-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyDHWPHHUPVBRORR-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.84
Rot. Bonds8

About N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 17111332) has the molecular formula C26H22N2O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID17111332
Molecular FormulaC26H22N2O4S
Molecular Weight458.54 g/mol
Exact Mass458.13
IUPAC NameN-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C26H22N2O4S/c1-31-23-16-20(12-13-22(23)28-26(30)24-11-6-14-33-24)27-25(29)19-9-5-10-21(15-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyDHWPHHUPVBRORR-UHFFFAOYSA-N
XLogP5.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 5348268
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CID 26522423
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 22778332
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 17111332) is N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is DHWPHHUPVBRORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4S/c1-31-23-16-20(12-13-22(23)28-26(30)24-11-6-14-33-24)27-25(29)19-9-5-10-21(15-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17111332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).