N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C22H33N3O3S — CID 56542312

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCC2C(=O)N2CCSCC2)C(C)C)cc1
InChIInChI=1S/C22H33N3O3S/c1-16(2)21(17-6-8-18(28-3)9-7-17)23-20(26)15-25-10-4-5-19(25)22(27)24-11-13-29-14-12-24/h6-9,16,19,21H,4-5,10-15H2,1-3H3,(H,23,26)
InChIKeyOSCSUYFCNGAZMO-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.55
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 56542312) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID56542312
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCCC2C(=O)N2CCSCC2)C(C)C)cc1
InChIInChI=1S/C22H33N3O3S/c1-16(2)21(17-6-8-18(28-3)9-7-17)23-20(26)15-25-10-4-5-19(25)22(27)24-11-13-29-14-12-24/h6-9,16,19,21H,4-5,10-15H2,1-3H3,(H,23,26)
InChIKeyOSCSUYFCNGAZMO-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55851895
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542249
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578830
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
N-[2-(4-ethoxyphenoxy)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542058
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567992
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667361
2-(2,5-dimethylmorpholin-4-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 134007317
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 92763021

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 56542312) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is COc1ccc(C(NC(=O)CN2CCCC2C(=O)N2CCSCC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is OSCSUYFCNGAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-16(2)21(17-6-8-18(28-3)9-7-17)23-20(26)15-25-10-4-5-19(25)22(27)24-11-13-29-14-12-24/h6-9,16,19,21H,4-5,10-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 419.59 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56542312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).