3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

C11H16N2O3S3 — CID 103526630

IUPAC3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C11H16N2O3S3/c1-4-6-13-10(14)8-7(12)9(11(17-3)18-8)19(15,16)5-2/h4H,1,5-6,12H2,2-3H3,(H,13,14)
InChIKeyDAINZYPKTVVPMC-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103526630) has the molecular formula C11H16N2O3S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103526630
Molecular FormulaC11H16N2O3S3
Molecular Weight320.46 g/mol
Exact Mass320.03
IUPAC Name3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C11H16N2O3S3/c1-4-6-13-10(14)8-7(12)9(11(17-3)18-8)19(15,16)5-2/h4H,1,5-6,12H2,2-3H3,(H,13,14)
InChIKeyDAINZYPKTVVPMC-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
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-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103417441
3-amino-5-(cyclobutylamino)-4-methylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 103525965
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
methyl 3-amino-4-ethylsulfonyl-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510120
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103423047
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 103526630) is 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is DAINZYPKTVVPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S3/c1-4-6-13-10(14)8-7(12)9(11(17-3)18-8)19(15,16)5-2/h4H,1,5-6,12H2,2-3H3,(H,13,14).
What are the key properties of 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103526630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).