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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Related Compounds

tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
4-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoic acid
CID 1374365
5-methyl-N-(4-prop-2-enoxynaphthalen-1-yl)-2-thiophen-2-yl-1,3-dioxane-5-carboxamide
CID 100780007
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
CID 100782776
N-[1-(2-ethoxy-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 87006189
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536

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).