N-(4-phenylphenyl)thiomorpholine-3-carboxamide

C17H18N2OS — CID 82896691

IUPACN-(4-phenylphenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CSCCN1
InChIInChI=1S/C17H18N2OS/c20-17(16-12-21-11-10-18-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyBIXOJEVSSSTYKY-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.00
Rot. Bonds3

About N-(4-phenylphenyl)thiomorpholine-3-carboxamide

N-(4-phenylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82896691) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-phenylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)thiomorpholine-3-carboxamide
PubChem CID82896691
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(4-phenylphenyl)thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CSCCN1
InChIInChI=1S/C17H18N2OS/c20-17(16-12-21-11-10-18-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyBIXOJEVSSSTYKY-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 172895059
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
(3S)-5-oxo-N-phenyl-1,4-thiazepane-3-carboxamide
CID 100816227
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(4-phenylphenyl)thiomorpholine-3-carboxamide (CID 82896691) is N-(4-phenylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)thiomorpholine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C1CSCCN1.
What is the InChIKey of N-(4-phenylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is BIXOJEVSSSTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(16-12-21-11-10-18-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,18H,10-12H2,(H,19,20).
What are the key properties of N-(4-phenylphenyl)thiomorpholine-3-carboxamide?
N-(4-phenylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82896691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).