N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide

C17H21N3O5S — CID 3169047

IUPACN-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
SMILESCOCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-22-8-6-18-17(26)20-12-10-14(23-2)11(9-15(12)24-3)19-16(21)13-5-4-7-25-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,21)(H2,18,20,26)
InChIKeyBSMXEVLQICNGDN-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.48
Rot. Bonds8

About N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide

N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide (PubChem CID 3169047) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
PubChem CID3169047
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
SMILESCOCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-22-8-6-18-17(26)20-12-10-14(23-2)11(9-15(12)24-3)19-16(21)13-5-4-7-25-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,21)(H2,18,20,26)
InChIKeyBSMXEVLQICNGDN-UHFFFAOYSA-N
XLogP2.48
TPSA93.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea
CID 2342479
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
CID 1139136
N-[3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 4261831
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide (CID 3169047) is N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide is COCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide?
The InChIKey is BSMXEVLQICNGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-22-8-6-18-17(26)20-12-10-14(23-2)11(9-15(12)24-3)19-16(21)13-5-4-7-25-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,21)(H2,18,20,26).
What are the key properties of N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide?
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3169047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).