3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide

C10H16N2O3S3 — CID 103526684

IUPAC3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C10H16N2O3S3/c1-4-12-9(13)7-6(11)8(10(16-3)17-7)18(14,15)5-2/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyXBYXKXMGYHLQBL-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide

3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 103526684) has the molecular formula C10H16N2O3S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
PubChem CID103526684
Molecular FormulaC10H16N2O3S3
Molecular Weight308.45 g/mol
Exact Mass308.03
IUPAC Name3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C10H16N2O3S3/c1-4-12-9(13)7-6(11)8(10(16-3)17-7)18(14,15)5-2/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyXBYXKXMGYHLQBL-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526630
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526645
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103423529
3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526743
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583
3-amino-N-ethyl-5-(3-methylbutan-2-ylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103426936
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide (CID 103526684) is 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide is CCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is XBYXKXMGYHLQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S3/c1-4-12-9(13)7-6(11)8(10(16-3)17-7)18(14,15)5-2/h4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide?
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103526684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).