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

C15H25N3O2S — CID 103423046

IUPAC3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CCCCC2)c(OC)c1N
InChIInChI=1S/C15H25N3O2S/c1-3-9-17-14(19)13-11(16)12(20-2)15(21-13)18-10-7-5-4-6-8-10/h10,18H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyMBYBLYDSAGUKRA-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.22
Rot. Bonds6

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

3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide (PubChem CID 103423046) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
PubChem CID103423046
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CCCCC2)c(OC)c1N
InChIInChI=1S/C15H25N3O2S/c1-3-9-17-14(19)13-11(16)12(20-2)15(21-13)18-10-7-5-4-6-8-10/h10,18H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyMBYBLYDSAGUKRA-UHFFFAOYSA-N
XLogP3.22
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide (CID 103423046) is 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NC2CCCCC2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The InChIKey is MBYBLYDSAGUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-9-17-14(19)13-11(16)12(20-2)15(21-13)18-10-7-5-4-6-8-10/h10,18H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103423046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).