5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide

C12H17ClN2O2S — CID 164603594

IUPAC5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)CCl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-2-3-4-7-14-12(17)9-5-6-11(18-9)15-10(16)8-13/h5-6H,2-4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHPZKTNOQFCWMAR-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.85
Rot. Bonds7

About 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide

5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide (PubChem CID 164603594) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide
PubChem CID164603594
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)CCl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-2-3-4-7-14-12(17)9-5-6-11(18-9)15-10(16)8-13/h5-6H,2-4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHPZKTNOQFCWMAR-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
5-(4-methylpiperazin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480860
N-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135512
N-[5-(azocane-1-carbonyl)thiophen-2-yl]acetamide
CID 41294578
N-[5-(azepane-1-carbonyl)thiophen-2-yl]acetamide
CID 41360326
N-propyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 44480863
5-morpholin-4-yl-N-propylthiophene-2-carboxamide
CID 44481102
5-(cyclopropanecarbonylamino)-N-(2-sulfanylethyl)thiophene-2-carboxamide
CID 177679813
5-acetamido-N-cyclopropylthiophene-2-carboxamide
CID 24605414
5-Acetami-do-2-acetylthiophene
CID 12813871
5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18129589
5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18136022

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide?
The IUPAC name of 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide (CID 164603594) is 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide is CCCCCNC(=O)c1ccc(NC(=O)CCl)s1.
What is the InChIKey of 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide?
The InChIKey is HPZKTNOQFCWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-3-4-7-14-12(17)9-5-6-11(18-9)15-10(16)8-13/h5-6H,2-4,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide?
5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroacetyl)amino]-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 164603594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).