N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

C22H26N2O5S — CID 46059624

IUPACN-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2cccs2)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H26N2O5S/c1-15(2)11-24(21(25)16-5-6-18-19(10-16)29-14-28-18)13-17-12-23(7-8-27-17)22(26)20-4-3-9-30-20/h3-6,9-10,15,17H,7-8,11-14H2,1-2H3
InChIKeyAJWPWQPEEVTIGE-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.12
Rot. Bonds6

About N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46059624) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID46059624
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC1CN(C(=O)c2cccs2)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H26N2O5S/c1-15(2)11-24(21(25)16-5-6-18-19(10-16)29-14-28-18)13-17-12-23(7-8-27-17)22(26)20-4-3-9-30-20/h3-6,9-10,15,17H,7-8,11-14H2,1-2H3
InChIKeyAJWPWQPEEVTIGE-UHFFFAOYSA-N
XLogP3.12
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 46060521
N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 93338082

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 46059624) is N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is CC(C)CN(CC1CN(C(=O)c2cccs2)CCO1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is AJWPWQPEEVTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-15(2)11-24(21(25)16-5-6-18-19(10-16)29-14-28-18)13-17-12-23(7-8-27-17)22(26)20-4-3-9-30-20/h3-6,9-10,15,17H,7-8,11-14H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46059624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).