N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide

C20H23NO3S — CID 45227451

IUPACN-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1ccc(OCc2ccsc2)cc1)C1CC1
InChIInChI=1S/C20H23NO3S/c22-20(19-2-1-10-23-19)21(17-5-6-17)12-15-3-7-18(8-4-15)24-13-16-9-11-25-14-16/h3-4,7-9,11,14,17,19H,1-2,5-6,10,12-13H2
InChIKeyPKJCGUDJAXOSNL-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.00
Rot. Bonds7

About N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide

N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 45227451) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
PubChem CID45227451
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1ccc(OCc2ccsc2)cc1)C1CC1
InChIInChI=1S/C20H23NO3S/c22-20(19-2-1-10-23-19)21(17-5-6-17)12-15-3-7-18(8-4-15)24-13-16-9-11-25-14-16/h3-4,7-9,11,14,17,19H,1-2,5-6,10,12-13H2
InChIKeyPKJCGUDJAXOSNL-UHFFFAOYSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
CID 118757005
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
(2R)-N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxolane-2-carboxamide
CID 99859409
2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 166597130
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 42171769
3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97456365
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide (CID 45227451) is N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide is O=C(C1CCCO1)N(Cc1ccc(OCc2ccsc2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is PKJCGUDJAXOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-20(19-2-1-10-23-19)21(17-5-6-17)12-15-3-7-18(8-4-15)24-13-16-9-11-25-14-16/h3-4,7-9,11,14,17,19H,1-2,5-6,10,12-13H2.
What are the key properties of N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide?
N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45227451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).