N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide

C17H24N4O2S — CID 119937230

IUPACN-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c22-16(11-13-12-24-10-7-18-13)19-14-5-1-2-6-15(14)20-17(23)21-8-3-4-9-21/h1-2,5-6,13,18H,3-4,7-12H2,(H,19,22)(H,20,23)
InChIKeyQUGJPNIUKUNAIO-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.35
Rot. Bonds4

About N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 119937230) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID119937230
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c22-16(11-13-12-24-10-7-18-13)19-14-5-1-2-6-15(14)20-17(23)21-8-3-4-9-21/h1-2,5-6,13,18H,3-4,7-12H2,(H,19,22)(H,20,23)
InChIKeyQUGJPNIUKUNAIO-UHFFFAOYSA-N
XLogP2.35
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936955
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 119937230) is N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide is O=C(CC1CSCCN1)Nc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QUGJPNIUKUNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-16(11-13-12-24-10-7-18-13)19-14-5-1-2-6-15(14)20-17(23)21-8-3-4-9-21/h1-2,5-6,13,18H,3-4,7-12H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119937230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).