3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide

C15H23N3O2S — CID 103424670

IUPAC3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C15H23N3O2S/c1-4-7-17-14(19)13-11(16)12(20-9(2)3)15(21-13)18-8-10-5-6-10/h4,9-10,18H,1,5-8,16H2,2-3H3,(H,17,19)
InChIKeyASHINWCHSMPJDP-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.86
Rot. Bonds8

About 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103424670) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103424670
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C15H23N3O2S/c1-4-7-17-14(19)13-11(16)12(20-9(2)3)15(21-13)18-8-10-5-6-10/h4,9-10,18H,1,5-8,16H2,2-3H3,(H,17,19)
InChIKeyASHINWCHSMPJDP-UHFFFAOYSA-N
XLogP2.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
CID 103510092
methyl 4-amino-2-(cyclopropylmethylamino)-5-(prop-2-enylcarbamoyl)thiophene-3-carboxylate
CID 103424651
1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103424685
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
ethyl 3-amino-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510106
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide (CID 103424670) is 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCC2CC2)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ASHINWCHSMPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-7-17-14(19)13-11(16)12(20-9(2)3)15(21-13)18-8-10-5-6-10/h4,9-10,18H,1,5-8,16H2,2-3H3,(H,17,19).
What are the key properties of 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103424670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).