3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide

C11H19N3O4S2 — CID 103506464

IUPAC3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
SMILESCC(C)OCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-6(2)18-5-4-14-11-9(20(3,16)17)7(12)8(19-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyAAVXPAYQWJQRGS-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.67
Rot. Bonds7

About 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide

3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide (PubChem CID 103506464) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
PubChem CID103506464
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
SMILESCC(C)OCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-6(2)18-5-4-14-11-9(20(3,16)17)7(12)8(19-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyAAVXPAYQWJQRGS-UHFFFAOYSA-N
XLogP0.67
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
CID 103506465
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
CID 103506398
ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103428640
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide (CID 103506464) is 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide is CC(C)OCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The InChIKey is AAVXPAYQWJQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-6(2)18-5-4-14-11-9(20(3,16)17)7(12)8(19-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15).
What are the key properties of 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103506464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).