N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide

C21H20N2O3S — CID 100781025

IUPACN-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12
InChIInChI=1S/C21H20N2O3S/c1-2-26-17-10-9-16(14-6-3-4-7-15(14)17)22-20(25)21(11-12-21)23-19(24)18-8-5-13-27-18/h3-10,13H,2,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyUMPJKWSNZBQXMZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.20
Rot. Bonds6

About N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide

N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide (PubChem CID 100781025) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide
PubChem CID100781025
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12
InChIInChI=1S/C21H20N2O3S/c1-2-26-17-10-9-16(14-6-3-4-7-15(14)17)22-20(25)21(11-12-21)23-19(24)18-8-5-13-27-18/h3-10,13H,2,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyUMPJKWSNZBQXMZ-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide (CID 100781025) is N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide is CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12.
What is the InChIKey of N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide?
The InChIKey is UMPJKWSNZBQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-2-26-17-10-9-16(14-6-3-4-7-15(14)17)22-20(25)21(11-12-21)23-19(24)18-8-5-13-27-18/h3-10,13H,2,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide?
N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 100781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).