5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide

C17H22N2O2S — CID 71899366

IUPAC5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22N2O2S/c1-9-8-13(18-16(20)12-6-7-12)22-15(9)17(21)19-14(10-2-3-10)11-4-5-11/h8,10-12,14H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLDDDFXCEVFPSB-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.32
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide (PubChem CID 71899366) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide
PubChem CID71899366
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22N2O2S/c1-9-8-13(18-16(20)12-6-7-12)22-15(9)17(21)19-14(10-2-3-10)11-4-5-11/h8,10-12,14H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLDDDFXCEVFPSB-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide (CID 71899366) is 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is NLDDDFXCEVFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-9-8-13(18-16(20)12-6-7-12)22-15(9)17(21)19-14(10-2-3-10)11-4-5-11/h8,10-12,14H,2-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 71899366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).