N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide

C15H17N3O3S2 — CID 18537451

IUPACN-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide
SMILES[H]/N=C(\N)c1cc(NC(=O)Cc2cc(OC)ccc2O)c(SC)s1
InChIInChI=1S/C15H17N3O3S2/c1-21-9-3-4-11(19)8(5-9)6-13(20)18-10-7-12(14(16)17)23-15(10)22-2/h3-5,7,19H,6H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyYZGGGNOCHRXGGI-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds6

About N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide

N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide (PubChem CID 18537451) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide
PubChem CID18537451
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide
SMILES[H]/N=C(\N)c1cc(NC(=O)Cc2cc(OC)ccc2O)c(SC)s1
InChIInChI=1S/C15H17N3O3S2/c1-21-9-3-4-11(19)8(5-9)6-13(20)18-10-7-12(14(16)17)23-15(10)22-2/h3-5,7,19H,6H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyYZGGGNOCHRXGGI-UHFFFAOYSA-N
XLogP2.65
TPSA108.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide 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

N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-5-(3,5-dichlorophenoxy)furan-2-carboxamide
CID 18536778
4-(3-methylanilino)-5-methylsulfanylthiophene-2-carboximidamide
CID 18537105
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
4-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide;hydrochloride
CID 18537467
[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
CID 43744824
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741109
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
11-amino-N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfinylphenyl]-3-methylphenyl]undecanamide
CID 67564348
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide?
The IUPAC name of N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide (CID 18537451) is N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide is [H]/N=C(\N)c1cc(NC(=O)Cc2cc(OC)ccc2O)c(SC)s1.
What is the InChIKey of N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide?
The InChIKey is YZGGGNOCHRXGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-21-9-3-4-11(19)8(5-9)6-13(20)18-10-7-12(14(16)17)23-15(10)22-2/h3-5,7,19H,6H2,1-2H3,(H3,16,17)(H,18,20).
What are the key properties of N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide?
N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide is sourced from PubChem (CID 18537451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).