4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide

C15H21N3O2S — CID 103423944

IUPAC4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)8-6-7-8)21-15(10)18-9-4-2-3-5-9/h8-9,18H,2-7,16H2,1H3,(H,17,20)
InChIKeyQSYJZGAJXRIQON-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide

4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide (PubChem CID 103423944) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
PubChem CID103423944
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)8-6-7-8)21-15(10)18-9-4-2-3-5-9/h8-9,18H,2-7,16H2,1H3,(H,17,20)
InChIKeyQSYJZGAJXRIQON-UHFFFAOYSA-N
XLogP2.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424237
3-amino-2-N-cyclopropyl-4-N-methyl-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxamide
CID 103526075
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
CID 103526093

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide (CID 103423944) is 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide is CNC(=O)c1c(NC2CCCC2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide?
The InChIKey is QSYJZGAJXRIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)8-6-7-8)21-15(10)18-9-4-2-3-5-9/h8-9,18H,2-7,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide?
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103423944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).