3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide

C14H23N3O3S — CID 103542420

IUPAC3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(OC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O3S/c1-4-6-16-13(18)12-10(15)11(20-3)14(21-12)17-7-5-9(8-17)19-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyNYLHONFRYFPMRT-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.70
Rot. Bonds6

About 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide

3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide (PubChem CID 103542420) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
PubChem CID103542420
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(OC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O3S/c1-4-6-16-13(18)12-10(15)11(20-3)14(21-12)17-7-5-9(8-17)19-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyNYLHONFRYFPMRT-UHFFFAOYSA-N
XLogP1.70
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542443
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506506
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
ethyl 3-amino-4-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]thiophene-2-carboxylate
CID 103422661

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide (CID 103542420) is 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N2CCC(OC)C2)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The InChIKey is NYLHONFRYFPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-6-16-13(18)12-10(15)11(20-3)14(21-12)17-7-5-9(8-17)19-2/h9H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103542420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).