2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide

C17H28N2OS — CID 134144589

IUPAC2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(C(C)CCC=C(C)C)sc1N
InChIInChI=1S/C17H28N2OS/c1-5-6-10-19-17(20)14-11-15(21-16(14)18)13(4)9-7-8-12(2)3/h8,11,13H,5-7,9-10,18H2,1-4H3,(H,19,20)
InChIKeyRYNWGKYBWZKJGP-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.71
Rot. Bonds8

About 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide

2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide (PubChem CID 134144589) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide
PubChem CID134144589
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(C(C)CCC=C(C)C)sc1N
InChIInChI=1S/C17H28N2OS/c1-5-6-10-19-17(20)14-11-15(21-16(14)18)13(4)9-7-8-12(2)3/h8,11,13H,5-7,9-10,18H2,1-4H3,(H,19,20)
InChIKeyRYNWGKYBWZKJGP-UHFFFAOYSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-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

2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
1-(3-((2-Aminoethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560912
1-(3-((2-(Dimethylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560914
(R)-1-(5-phenyl-3-((piperidin-3-ylmethyl)carbamoyl)thiophen-2-yl)urea
CID 44560937
2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 802301
4-Methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-amine
CID 2090156
2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
CID 53383652
2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
CID 53383641
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide (CID 134144589) is 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide is CCCCNC(=O)c1cc(C(C)CCC=C(C)C)sc1N.
What is the InChIKey of 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide?
The InChIKey is RYNWGKYBWZKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-6-10-19-17(20)14-11-15(21-16(14)18)13(4)9-7-8-12(2)3/h8,11,13H,5-7,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide?
2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide has a molecular weight of 308.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 134144589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).