4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide

C15H23N3O2S — CID 103427111

IUPAC4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NC2CCCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-2-10(19)13-12(16)11(14(17)20)15(21-13)18-9-7-5-3-4-6-8-9/h9,18H,2-8,16H2,1H3,(H2,17,20)
InChIKeyICCIOTVXXRTDAS-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide

4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide (PubChem CID 103427111) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
PubChem CID103427111
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NC2CCCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C15H23N3O2S/c1-2-10(19)13-12(16)11(14(17)20)15(21-13)18-9-7-5-3-4-6-8-9/h9,18H,2-8,16H2,1H3,(H2,17,20)
InChIKeyICCIOTVXXRTDAS-UHFFFAOYSA-N
XLogP3.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
CID 70956563
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide (CID 103427111) is 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide is CCC(=O)c1sc(NC2CCCCCC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide?
The InChIKey is ICCIOTVXXRTDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-10(19)13-12(16)11(14(17)20)15(21-13)18-9-7-5-3-4-6-8-9/h9,18H,2-8,16H2,1H3,(H2,17,20).
What are the key properties of 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide?
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 103427111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).