N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C18H25N3O2S — CID 95149005

IUPACN-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-21-8-2-3-16(21)18(23)20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeySSNOIDBEYAVGJX-INIZCTEOSA-N
MW347.48 g/mol
LogP1.97
Rot. Bonds4

About N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 95149005) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID95149005
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-21-8-2-3-16(21)18(23)20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeySSNOIDBEYAVGJX-INIZCTEOSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578893
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578830
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 95143189
N-(1,3,4-thiadiazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56805329
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-[2-(4-ethoxyphenoxy)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542058
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542249
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542312
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 52518463

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 95149005) is N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is SSNOIDBEYAVGJX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-21-8-2-3-16(21)18(23)20-9-11-24-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95149005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).