N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

C19H28N2O2S — CID 86965945

IUPACN-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc(NC(=O)C3CC3)s2)CC1
InChIInChI=1S/C19H28N2O2S/c1-12(2)15-7-4-13(3)10-11-21(15)19(23)16-8-9-17(24-16)20-18(22)14-5-6-14/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyRRCKMONNHVQDCR-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.38
Rot. Bonds4

About N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 86965945) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
PubChem CID86965945
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc(NC(=O)C3CC3)s2)CC1
InChIInChI=1S/C19H28N2O2S/c1-12(2)15-7-4-13(3)10-11-21(15)19(23)16-8-9-17(24-16)20-18(22)14-5-6-14/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyRRCKMONNHVQDCR-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (CID 86965945) is N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is CC1CCC(C(C)C)N(C(=O)c2ccc(NC(=O)C3CC3)s2)CC1.
What is the InChIKey of N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is RRCKMONNHVQDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-12(2)15-7-4-13(3)10-11-21(15)19(23)16-8-9-17(24-16)20-18(22)14-5-6-14/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 348.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86965945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).