3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide

C10H17N3O4S2 — CID 103428586

IUPAC3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
SMILESCCOCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-3-17-5-4-13-10-8(19(2,15)16)6(11)7(18-10)9(12)14/h13H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyLCDHGJBGDQUEBX-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.28
Rot. Bonds7

About 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103428586) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103428586
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
SMILESCCOCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-3-17-5-4-13-10-8(19(2,15)16)6(11)7(18-10)9(12)14/h13H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyLCDHGJBGDQUEBX-UHFFFAOYSA-N
XLogP0.28
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.28
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)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103428640
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103506984
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
ethyl 3-amino-4-methylsulfonyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 103425844

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide (CID 103428586) is 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide is CCOCCNc1sc(C(N)=O)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is LCDHGJBGDQUEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-3-17-5-4-13-10-8(19(2,15)16)6(11)7(18-10)9(12)14/h13H,3-5,11H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103428586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).