5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide

C19H31N3O2S — CID 51111723

IUPAC5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C19H31N3O2S/c1-12(2)22-9-7-14(8-10-22)20-17(23)16-13(3)11-15(25-16)21-18(24)19(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyNEXFNSYLXJKPAS-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.64
Rot. Bonds4

About 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 51111723) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID51111723
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C19H31N3O2S/c1-12(2)22-9-7-14(8-10-22)20-17(23)16-13(3)11-15(25-16)21-18(24)19(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyNEXFNSYLXJKPAS-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide (CID 51111723) is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is NEXFNSYLXJKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-12(2)22-9-7-14(8-10-22)20-17(23)16-13(3)11-15(25-16)21-18(24)19(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 51111723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).