N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

C16H23N3O3S — CID 78834258

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(N)=O
InChIInChI=1S/C16H23N3O3S/c1-4-8(2)12(14(17)20)19-16(22)13-9(3)7-11(23-13)18-15(21)10-5-6-10/h7-8,10,12H,4-6H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyQRXJCIJKPGPTHR-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.03
Rot. Bonds7

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (PubChem CID 78834258) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
PubChem CID78834258
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(N)=O
InChIInChI=1S/C16H23N3O3S/c1-4-8(2)12(14(17)20)19-16(22)13-9(3)7-11(23-13)18-15(21)10-5-6-10/h7-8,10,12H,4-6H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyQRXJCIJKPGPTHR-UHFFFAOYSA-N
XLogP2.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide (CID 78834258) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is CCC(C)C(NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is QRXJCIJKPGPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-8(2)12(14(17)20)19-16(22)13-9(3)7-11(23-13)18-15(21)10-5-6-10/h7-8,10,12H,4-6H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 78834258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).