4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide

C19H23ClN4OS — CID 149468949

IUPAC4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESC/N=C(\C(Cl)=CN)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1C
InChIInChI=1S/C19H23ClN4OS/c1-12-15(18(23-2)16(20)11-22)9-17(26-12)19(25)24-14(10-21)8-13-6-4-3-5-7-13/h3-7,9,11,14H,8,10,21-22H2,1-2H3,(H,24,25)/b16-11?,23-18-
InChIKeyDLYWNKPRJOLZSX-MQEVVDDJSA-N
MW390.94 g/mol
LogP2.81
Rot. Bonds7

About 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide

4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 149468949) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID149468949
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESC/N=C(\C(Cl)=CN)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1C
InChIInChI=1S/C19H23ClN4OS/c1-12-15(18(23-2)16(20)11-22)9-17(26-12)19(25)24-14(10-21)8-13-6-4-3-5-7-13/h3-7,9,11,14H,8,10,21-22H2,1-2H3,(H,24,25)/b16-11?,23-18-
InChIKeyDLYWNKPRJOLZSX-MQEVVDDJSA-N
XLogP2.81
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-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-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 153236961
4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-chlorothiophene-2-carboxamide
CID 143734349
4-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methylthiophene-2-carboxamide
CID 143734315
4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]thiophene-2-carboxamide
CID 143734337
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methoxythiophene-2-carboxamide
CID 173490875
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
CID 70473357
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320

Frequently Asked Questions

What is the IUPAC name of 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide (CID 149468949) is 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide is C/N=C(\C(Cl)=CN)c1cc(C(=O)NC(CN)Cc2ccccc2)sc1C.
What is the InChIKey of 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is DLYWNKPRJOLZSX-MQEVVDDJSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-12-15(18(23-2)16(20)11-22)9-17(26-12)19(25)24-14(10-21)8-13-6-4-3-5-7-13/h3-7,9,11,14H,8,10,21-22H2,1-2H3,(H,24,25)/b16-11?,23-18-.
What are the key properties of 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide?
4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-(2-amino-1-chloroethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 149468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).