4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide

C14H23N3O2S — CID 103425607

IUPAC4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCCC(C)C)c(C(=O)NC)c1N
InChIInChI=1S/C14H23N3O2S/c1-5-9(18)12-11(15)10(13(19)16-4)14(20-12)17-7-6-8(2)3/h8,17H,5-7,15H2,1-4H3,(H,16,19)
InChIKeyNVSSXGXYWUTBMS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.74
Rot. Bonds7

About 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide

4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide (PubChem CID 103425607) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
PubChem CID103425607
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCCC(C)C)c(C(=O)NC)c1N
InChIInChI=1S/C14H23N3O2S/c1-5-9(18)12-11(15)10(13(19)16-4)14(20-12)17-7-6-8(2)3/h8,17H,5-7,15H2,1-4H3,(H,16,19)
InChIKeyNVSSXGXYWUTBMS-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041
1-[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]propan-1-one
CID 103507063
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
CID 103423873
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide (CID 103425607) is 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide is CCC(=O)c1sc(NCCC(C)C)c(C(=O)NC)c1N.
What is the InChIKey of 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide?
The InChIKey is NVSSXGXYWUTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-9(18)12-11(15)10(13(19)16-4)14(20-12)17-7-6-8(2)3/h8,17H,5-7,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide?
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 103425607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).