3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide

C12H21N3O3S2 — CID 103423583

IUPAC3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(C)CC)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-5-7(3)15-12-10(20(4,17)18)8(13)9(19-12)11(16)14-6-2/h7,15H,5-6,13H2,1-4H3,(H,14,16)
InChIKeySYAFOJOESJBVMT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.69
Rot. Bonds6

About 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103423583) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103423583
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(C)CC)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-5-7(3)15-12-10(20(4,17)18)8(13)9(19-12)11(16)14-6-2/h7,15H,5-6,13H2,1-4H3,(H,14,16)
InChIKeySYAFOJOESJBVMT-UHFFFAOYSA-N
XLogP1.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103423529
3-amino-N-ethyl-5-(3-methylbutan-2-ylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103426936
1-[3-amino-5-(butan-2-ylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103423497
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
ethyl 3-amino-4-methylsulfonyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423283
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
3-amino-N-ethyl-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103509700
3-amino-5-(butan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423539

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide (CID 103423583) is 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide is CCNC(=O)c1sc(NC(C)CC)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is SYAFOJOESJBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-5-7(3)15-12-10(20(4,17)18)8(13)9(19-12)11(16)14-6-2/h7,15H,5-6,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103423583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).