3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide

C13H23N3O3S2 — CID 103417812

IUPAC3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CCC(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H23N3O3S2/c1-8(2)6-7-16(4)13-11(21(5,18)19)9(14)10(20-13)12(17)15-3/h8H,6-7,14H2,1-5H3,(H,15,17)
InChIKeyHPJSEQCSHJDPON-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.58
Rot. Bonds6

About 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide

3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103417812) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103417812
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CCC(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H23N3O3S2/c1-8(2)6-7-16(4)13-11(21(5,18)19)9(14)10(20-13)12(17)15-3/h8H,6-7,14H2,1-5H3,(H,15,17)
InChIKeyHPJSEQCSHJDPON-UHFFFAOYSA-N
XLogP1.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
ethyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103417825
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
4-amino-2-[methyl(3-methylbutyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103417879
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide (CID 103417812) is 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide is CNC(=O)c1sc(N(C)CCC(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is HPJSEQCSHJDPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-8(2)6-7-16(4)13-11(21(5,18)19)9(14)10(20-13)12(17)15-3/h8H,6-7,14H2,1-5H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103417812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).