N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide

C24H31NO3S — CID 45239939

IUPACN-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(OCc2cccs2)cc1)CC1CCCO1
InChIInChI=1S/C24H31NO3S/c26-24(20-6-2-1-3-7-20)25(17-22-8-4-14-27-22)16-19-10-12-21(13-11-19)28-18-23-9-5-15-29-23/h5,9-13,15,20,22H,1-4,6-8,14,16-18H2
InChIKeyBPBVHDZXUSJJLW-UHFFFAOYSA-N
MW413.58 g/mol
LogP5.41
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide

N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 45239939) has the molecular formula C24H31NO3S and a molecular weight of 413.58 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide
PubChem CID45239939
Molecular FormulaC24H31NO3S
Molecular Weight413.58 g/mol
Exact Mass413.20
IUPAC NameN-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(OCc2cccs2)cc1)CC1CCCO1
InChIInChI=1S/C24H31NO3S/c26-24(20-6-2-1-3-7-20)25(17-22-8-4-14-27-22)16-19-10-12-21(13-11-19)28-18-23-9-5-15-29-23/h5,9-13,15,20,22H,1-4,6-8,14,16-18H2
InChIKeyBPBVHDZXUSJJLW-UHFFFAOYSA-N
XLogP5.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42405441
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide (CID 45239939) is N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ccc(OCc2cccs2)cc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is BPBVHDZXUSJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3S/c26-24(20-6-2-1-3-7-20)25(17-22-8-4-14-27-22)16-19-10-12-21(13-11-19)28-18-23-9-5-15-29-23/h5,9-13,15,20,22H,1-4,6-8,14,16-18H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide?
N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 413.58 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 45239939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).