3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide

C11H19N3O3S2 — CID 103424469

IUPAC3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C11H19N3O3S2/c1-4-13-10(15)8-7(12)9(19(16,17)6-3)11(18-8)14-5-2/h14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyANDLQUWGJZBBJM-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.31
Rot. Bonds6

About 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide

3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide (PubChem CID 103424469) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
PubChem CID103424469
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C11H19N3O3S2/c1-4-13-10(15)8-7(12)9(19(16,17)6-3)11(18-8)14-5-2/h14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyANDLQUWGJZBBJM-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103424444
3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103423529
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
3-amino-4-ethylsulfonyl-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507351
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
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
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
methyl 3-amino-4-ethylsulfonyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 103425877
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
CID 103505774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide (CID 103424469) is 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide is CCNC(=O)c1sc(NCC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
The InChIKey is ANDLQUWGJZBBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-4-13-10(15)8-7(12)9(19(16,17)6-3)11(18-8)14-5-2/h14H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide?
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103424469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).