3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide

C14H22N4O2S — CID 103422098

IUPAC3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCCC(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2S/c1-8-4-3-6-18(7-5-8)14-9(13(20)17-2)10(15)11(21-14)12(16)19/h8H,3-7,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyCXSMOBMFEXJBGW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide

3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide (PubChem CID 103422098) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
PubChem CID103422098
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCCC(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2S/c1-8-4-3-6-18(7-5-8)14-9(13(20)17-2)10(15)11(21-14)12(16)19/h8H,3-7,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyCXSMOBMFEXJBGW-UHFFFAOYSA-N
XLogP1.42
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
3-amino-N-methyl-5-(4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418839
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide (CID 103422098) is 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide is CNC(=O)c1c(N2CCCC(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide?
The InChIKey is CXSMOBMFEXJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8-4-3-6-18(7-5-8)14-9(13(20)17-2)10(15)11(21-14)12(16)19/h8H,3-7,15H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide?
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103422098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).