N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide

C29H23N3O5S — CID 83275423

IUPACN-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC3=C(Nc4ccccc4)C(=O)N(Cc4ccco4)C3=O)c2)c1
InChIInChI=1S/C29H23N3O5S/c1-36-22-12-5-8-19(16-22)27(33)31-21-11-6-14-24(17-21)38-26-25(30-20-9-3-2-4-10-20)28(34)32(29(26)35)18-23-13-7-15-37-23/h2-17,30H,18H2,1H3,(H,31,33)
InChIKeyRRFRVVLEYPHQFY-UHFFFAOYSA-N
MW525.59 g/mol
LogP5.53
Rot. Bonds9

About N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide

N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide (PubChem CID 83275423) has the molecular formula C29H23N3O5S and a molecular weight of 525.59 g/mol. Its IUPAC name is N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide
PubChem CID83275423
Molecular FormulaC29H23N3O5S
Molecular Weight525.59 g/mol
Exact Mass525.14
IUPAC NameN-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC3=C(Nc4ccccc4)C(=O)N(Cc4ccco4)C3=O)c2)c1
InChIInChI=1S/C29H23N3O5S/c1-36-22-12-5-8-19(16-22)27(33)31-21-11-6-14-24(17-21)38-26-25(30-20-9-3-2-4-10-20)28(34)32(29(26)35)18-23-13-7-15-37-23/h2-17,30H,18H2,1H3,(H,31,33)
InChIKeyRRFRVVLEYPHQFY-UHFFFAOYSA-N
XLogP5.53
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[3-[1-(furan-2-ylmethyl)-4-(4-methoxyanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83275251
N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83278851
N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-4-nitrobenzamide
CID 83279146
N-[4-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83279009
N-[3-[4-(4-bromoanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-chlorobenzamide
CID 83278337
2-chloro-N-[3-[4-(2,4-dimethoxyanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 91635623
4-fluoro-N-[3-[1-(furan-2-ylmethyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277708
N-[3-[1-(furan-2-ylmethyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-4-nitrobenzamide
CID 91635167
N-[3-[4-(4-bromoanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-2-chlorobenzamide
CID 83278841
N-[4-[4-(4-bromoanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 91634659
N-[3-[4-anilino-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide
CID 83274654
3-chloro-N-[4-[1-(furan-2-ylmethyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277780

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide (CID 83275423) is N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(SC3=C(Nc4ccccc4)C(=O)N(Cc4ccco4)C3=O)c2)c1.
What is the InChIKey of N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide?
The InChIKey is RRFRVVLEYPHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O5S/c1-36-22-12-5-8-19(16-22)27(33)31-21-11-6-14-24(17-21)38-26-25(30-20-9-3-2-4-10-20)28(34)32(29(26)35)18-23-13-7-15-37-23/h2-17,30H,18H2,1H3,(H,31,33).
What are the key properties of N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide?
N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide has a molecular weight of 525.59 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-3-methoxybenzamide is sourced from PubChem (CID 83275423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).