N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide

C19H28N4O2S — CID 118762293

IUPACN-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
SMILESCNC(=O)Cc1cccc(NC(=O)N2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C19H28N4O2S/c1-20-18(24)14-15-3-2-4-16(13-15)21-19(25)23-7-5-17(6-8-23)22-9-11-26-12-10-22/h2-4,13,17H,5-12,14H2,1H3,(H,20,24)(H,21,25)
InChIKeyPAPHVBLYOHSTIB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.02
Rot. Bonds4

About N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide

N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide (PubChem CID 118762293) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
PubChem CID118762293
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
SMILESCNC(=O)Cc1cccc(NC(=O)N2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C19H28N4O2S/c1-20-18(24)14-15-3-2-4-16(13-15)21-19(25)23-7-5-17(6-8-23)22-9-11-26-12-10-22/h2-4,13,17H,5-12,14H2,1H3,(H,20,24)(H,21,25)
InChIKeyPAPHVBLYOHSTIB-UHFFFAOYSA-N
XLogP2.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
CID 72857348
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[3-(methylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 98349166
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide (CID 118762293) is N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide is CNC(=O)Cc1cccc(NC(=O)N2CCC(N3CCSCC3)CC2)c1.
What is the InChIKey of N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
The InChIKey is PAPHVBLYOHSTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-20-18(24)14-15-3-2-4-16(13-15)21-19(25)23-7-5-17(6-8-23)22-9-11-26-12-10-22/h2-4,13,17H,5-12,14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide?
N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 118762293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).