N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide

C16H24N2O2S — CID 119758954

IUPACN-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)C2CNCCO2)c(C)c1
InChIInChI=1S/C16H24N2O2S/c1-4-12(3)21-13-5-6-14(11(2)9-13)18-16(19)15-10-17-7-8-20-15/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyIHUHHIBXLRCOKE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.81
Rot. Bonds5

About N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide

N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide (PubChem CID 119758954) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
PubChem CID119758954
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)C2CNCCO2)c(C)c1
InChIInChI=1S/C16H24N2O2S/c1-4-12(3)21-13-5-6-14(11(2)9-13)18-16(19)15-10-17-7-8-20-15/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyIHUHHIBXLRCOKE-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119309248
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975677
N-[4-(2-methoxyethoxy)-2-methylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119723519
methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate
CID 119742541
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
CID 119725786
1-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-[(3S)-oxolan-3-yl]urea
CID 97095767
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(2-fluoro-4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675290
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
CID 119802655

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide?
The IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide (CID 119758954) is N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide?
The canonical SMILES for N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide is CCC(C)Sc1ccc(NC(=O)C2CNCCO2)c(C)c1.
What is the InChIKey of N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide?
The InChIKey is IHUHHIBXLRCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-12(3)21-13-5-6-14(11(2)9-13)18-16(19)15-10-17-7-8-20-15/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide?
N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 119758954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).