3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide

C12H21N3O4S2 — CID 103432325

IUPAC3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N
InChIInChI=1S/C12H21N3O4S2/c1-4-5-14-11(16)10-8(13)9(19-2)12(20-10)15-6-7-21(3,17)18/h15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyYRZRAGUCKFTLGR-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.94
Rot. Bonds8

About 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide

3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide (PubChem CID 103432325) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
PubChem CID103432325
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N
InChIInChI=1S/C12H21N3O4S2/c1-4-5-14-11(16)10-8(13)9(19-2)12(20-10)15-6-7-21(3,17)18/h15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyYRZRAGUCKFTLGR-UHFFFAOYSA-N
XLogP0.94
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide (CID 103432325) is 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is YRZRAGUCKFTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-4-5-14-11(16)10-8(13)9(19-2)12(20-10)15-6-7-21(3,17)18/h15H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide?
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103432325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).