N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide

C24H20N2O4S — CID 4004013

IUPACN-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1
InChIInChI=1S/C24H20N2O4S/c1-29-22-13-16-6-3-2-5-15(16)12-20(22)23(28)26-24(31)25-18-8-4-7-17(11-18)21-10-9-19(14-27)30-21/h2-13,27H,14H2,1H3,(H2,25,26,28,31)
InChIKeyKEWROISMMKCVEY-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.73
Rot. Bonds5

About N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide

N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 4004013) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID4004013
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1
InChIInChI=1S/C24H20N2O4S/c1-29-22-13-16-6-3-2-5-15(16)12-20(22)23(28)26-24(31)25-18-8-4-7-17(11-18)21-10-9-19(14-27)30-21/h2-13,27H,14H2,1H3,(H2,25,26,28,31)
InChIKeyKEWROISMMKCVEY-UHFFFAOYSA-N
XLogP4.73
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 3941251
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 28687458
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17098464
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]-4-phenylbenzamide
CID 28687434
2-bromo-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]benzamide
CID 28687069
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
5-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 28687745
N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 43914698
3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687116
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 28688283
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide (CID 4004013) is N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1.
What is the InChIKey of N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is KEWROISMMKCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-29-22-13-16-6-3-2-5-15(16)12-20(22)23(28)26-24(31)25-18-8-4-7-17(11-18)21-10-9-19(14-27)30-21/h2-13,27H,14H2,1H3,(H2,25,26,28,31).
What are the key properties of N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide?
N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 4004013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).