3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide

C15H27N3O2S — CID 103423850

IUPAC3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18-8-9(2)3/h9-10,18H,6-8,16H2,1-5H3,(H,17,19)
InChIKeyKWTLYCWBXJNQHJ-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.33
Rot. Bonds8

About 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide

3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (PubChem CID 103423850) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
PubChem CID103423850
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18-8-9(2)3/h9-10,18H,6-8,16H2,1-5H3,(H,17,19)
InChIKeyKWTLYCWBXJNQHJ-UHFFFAOYSA-N
XLogP3.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103417474
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (CID 103423850) is 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCC(C)C)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The InChIKey is KWTLYCWBXJNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18-8-9(2)3/h9-10,18H,6-8,16H2,1-5H3,(H,17,19).
What are the key properties of 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103423850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).