N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

C21H27N3O2S — CID 86915687

IUPACN-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-15-13-18(23-20(25)17-9-10-17)27-19(15)21(26)22-11-6-12-24(2)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZEDSLPIBKWLCIP-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.66
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (PubChem CID 86915687) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
PubChem CID86915687
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-15-13-18(23-20(25)17-9-10-17)27-19(15)21(26)22-11-6-12-24(2)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZEDSLPIBKWLCIP-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86836586
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 24676616
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (CID 86915687) is N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is ZEDSLPIBKWLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15-13-18(23-20(25)17-9-10-17)27-19(15)21(26)22-11-6-12-24(2)14-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86915687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).