5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide

C17H24N2O3S — CID 71921817

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C17H24N2O3S/c1-11-9-14(18-16(20)13-5-6-13)23-15(11)17(21)19(2)7-8-22-10-12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,18,20)
InChIKeySLYKHUDYGLNKSM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.90
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 71921817) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID71921817
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C17H24N2O3S/c1-11-9-14(18-16(20)13-5-6-13)23-15(11)17(21)19(2)7-8-22-10-12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,18,20)
InChIKeySLYKHUDYGLNKSM-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide (CID 71921817) is 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)CCOCC1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is SLYKHUDYGLNKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-9-14(18-16(20)13-5-6-13)23-15(11)17(21)19(2)7-8-22-10-12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 71921817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).