4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

C17H17N3O2S2 — CID 138857435

IUPAC4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
SMILESNCCCNC(=O)c1ccc(-c2cccc3sc(C(N)=O)cc23)s1
InChIInChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22)
InChIKeyFMTKEOGINPLCJD-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.81
Rot. Bonds6

About 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 138857435) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID138857435
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
SMILESNCCCNC(=O)c1ccc(-c2cccc3sc(C(N)=O)cc23)s1
InChIInChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22)
InChIKeyFMTKEOGINPLCJD-UHFFFAOYSA-N
XLogP2.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(2-chloro-4-pyridinyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 71664582
4-[5-(3-aminopropylcarbamoyl)thiolan-2-yl]-1-benzothiophene-2-carboxamide
CID 138753628
4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
CID 123624865
4-amino-1-benzothiophene-2-carboxamide
CID 142819762
N-(2-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803135
4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 37394280
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 55545508
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172399
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide (CID 138857435) is 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide is NCCCNC(=O)c1ccc(-c2cccc3sc(C(N)=O)cc23)s1.
What is the InChIKey of 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is FMTKEOGINPLCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22).
What are the key properties of 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide?
4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 138857435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).