5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide

C17H26N2O3S — CID 111471133

IUPAC5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1CCCC1O
InChIInChI=1S/C17H26N2O3S/c1-10-8-13(19-16(22)17(2,3)4)23-14(10)15(21)18-9-11-6-5-7-12(11)20/h8,11-12,20H,5-7,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWKTSPKXXPWAZSQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.93
Rot. Bonds4

About 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 111471133) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID111471133
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1CCCC1O
InChIInChI=1S/C17H26N2O3S/c1-10-8-13(19-16(22)17(2,3)4)23-14(10)15(21)18-9-11-6-5-7-12(11)20/h8,11-12,20H,5-7,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWKTSPKXXPWAZSQ-UHFFFAOYSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide (CID 111471133) is 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1CCCC1O.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is WKTSPKXXPWAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-10-8-13(19-16(22)17(2,3)4)23-14(10)15(21)18-9-11-6-5-7-12(11)20/h8,11-12,20H,5-7,9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 111471133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).