N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

C22H22N2O7 — CID 2886874

IUPACN-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O7/c1-27-17-12-14(7-8-15(17)24-22(26)16-6-5-9-31-16)23-21(25)13-10-18(28-2)20(30-4)19(11-13)29-3/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyKJBPZUTYDRRMHS-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.82
Rot. Bonds8

About N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 2886874) has the molecular formula C22H22N2O7 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID2886874
Molecular FormulaC22H22N2O7
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC NameN-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O7/c1-27-17-12-14(7-8-15(17)24-22(26)16-6-5-9-31-16)23-21(25)13-10-18(28-2)20(30-4)19(11-13)29-3/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyKJBPZUTYDRRMHS-UHFFFAOYSA-N
XLogP3.82
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090058
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 5348268
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 17117544
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 2886874) is N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is KJBPZUTYDRRMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7/c1-27-17-12-14(7-8-15(17)24-22(26)16-6-5-9-31-16)23-21(25)13-10-18(28-2)20(30-4)19(11-13)29-3/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2886874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).