N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C24H26N2O3S — CID 41142715

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16(2)17-5-7-18(8-6-17)24(22-4-3-13-30-22)25-15-23(27)26-19-9-10-20-21(14-19)29-12-11-28-20/h3-10,13-14,16,24-25H,11-12,15H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyQLVKHYFCTXODGZ-XMMPIXPASA-N
MW422.55 g/mol
LogP4.96
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 41142715) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID41142715
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16(2)17-5-7-18(8-6-17)24(22-4-3-13-30-22)25-15-23(27)26-19-9-10-20-21(14-19)29-12-11-28-20/h3-10,13-14,16,24-25H,11-12,15H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyQLVKHYFCTXODGZ-XMMPIXPASA-N
XLogP4.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051783
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868036
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052242
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463651
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 6460151
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 112769583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998084
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 18137534

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 41142715) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CC(C)c1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is QLVKHYFCTXODGZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16(2)17-5-7-18(8-6-17)24(22-4-3-13-30-22)25-15-23(27)26-19-9-10-20-21(14-19)29-12-11-28-20/h3-10,13-14,16,24-25H,11-12,15H2,1-2H3,(H,26,27)/t24-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 41142715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).