N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide

C18H25N3O2S — CID 95143189

IUPACN-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1C(=O)N1CCSCC1)Nc1ccccc1
InChIInChI=1S/C18H25N3O2S/c22-17(19-15-5-2-1-3-6-15)8-10-20-9-4-7-16(20)18(23)21-11-13-24-14-12-21/h1-3,5-6,16H,4,7-14H2,(H,19,22)/t16-/m0/s1
InChIKeyFLZJYNZZGPQNMI-INIZCTEOSA-N
MW347.48 g/mol
LogP2.06
Rot. Bonds5

About N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide

N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide (PubChem CID 95143189) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
PubChem CID95143189
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1C(=O)N1CCSCC1)Nc1ccccc1
InChIInChI=1S/C18H25N3O2S/c22-17(19-15-5-2-1-3-6-15)8-10-20-9-4-7-16(20)18(23)21-11-13-24-14-12-21/h1-3,5-6,16H,4,7-14H2,(H,19,22)/t16-/m0/s1
InChIKeyFLZJYNZZGPQNMI-INIZCTEOSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 56578732
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578893
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-phenylpropanamide
CID 102681637
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 91837190
N-(1,3,4-thiadiazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56805329
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide (CID 95143189) is N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC[C@H]1C(=O)N1CCSCC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
The InChIKey is FLZJYNZZGPQNMI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(19-15-5-2-1-3-6-15)8-10-20-9-4-7-16(20)18(23)21-11-13-24-14-12-21/h1-3,5-6,16H,4,7-14H2,(H,19,22)/t16-/m0/s1.
What are the key properties of N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide?
N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide has a molecular weight of 347.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95143189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).