N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide

C14H15N3OS2 — CID 18536844

IUPACN-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide
SMILES[H]/N=C(\N)c1cc(C(=O)NCc2ccccc2)c(SC)s1
InChIInChI=1S/C14H15N3OS2/c1-19-14-10(7-11(20-14)12(15)16)13(18)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,15,16)(H,17,18)
InChIKeyAKLATKICCONHTN-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide

N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide (PubChem CID 18536844) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide
PubChem CID18536844
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide
SMILES[H]/N=C(\N)c1cc(C(=O)NCc2ccccc2)c(SC)s1
InChIInChI=1S/C14H15N3OS2/c1-19-14-10(7-11(20-14)12(15)16)13(18)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,15,16)(H,17,18)
InChIKeyAKLATKICCONHTN-UHFFFAOYSA-N
XLogP2.68
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide 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-N'-benzyl-5-methylsulfanylthiophene-2,4-dicarboximidamide
CID 18537123
N-benzyl-2-[3-[2-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]phenoxy]acetamide
CID 18537130
N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)benzamide;(E)-N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-3-phenylprop-2-enamide
CID 70074081
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
N-benzyl-2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 54430796
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
1-benzyl-3-(3-carbamimidoyl-4-fluorophenyl)urea
CID 107654630
N-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-2-(2-hydroxy-5-methoxyphenyl)acetamide
CID 18537451
carbamimidoyl N-benzylcarbamate
CID 68502456
4-(3-hydroxy-5-phenylphenyl)sulfinyl-5-methylsulfanylthiophene-2-carboximidamide
CID 67564496
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide?
The IUPAC name of N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide (CID 18536844) is N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide.
What is the SMILES notation for N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide?
The canonical SMILES for N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide is [H]/N=C(\N)c1cc(C(=O)NCc2ccccc2)c(SC)s1.
What is the InChIKey of N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide?
The InChIKey is AKLATKICCONHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-19-14-10(7-11(20-14)12(15)16)13(18)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,15,16)(H,17,18).
What are the key properties of N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide?
N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-carbamimidoyl-2-methylsulfanylthiophene-3-carboxamide is sourced from PubChem (CID 18536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).