5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide

C16H23N3O3S — CID 24666464

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C16H23N3O3S/c1-9(2)14(20)17-6-7-18-16(22)13-10(3)8-12(23-13)19-15(21)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyVXWDMLQZQQUHDE-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.91
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide (PubChem CID 24666464) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
PubChem CID24666464
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C16H23N3O3S/c1-9(2)14(20)17-6-7-18-16(22)13-10(3)8-12(23-13)19-15(21)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyVXWDMLQZQQUHDE-UHFFFAOYSA-N
XLogP1.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
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-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86836586
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide
CID 126769073
N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 86915687
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide (CID 24666464) is 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is VXWDMLQZQQUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-9(2)14(20)17-6-7-18-16(22)13-10(3)8-12(23-13)19-15(21)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24666464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).