N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide

C22H26N2O3S — CID 172658453

IUPACN-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc(C)c(NC(=O)C2CCCCO2)c1
InChIInChI=1S/C22H26N2O3S/c1-3-28-20-10-5-4-8-17(20)23-21(25)16-12-11-15(2)18(14-16)24-22(26)19-9-6-7-13-27-19/h4-5,8,10-12,14,19H,3,6-7,9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWUDNEMVMUHPAO-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.87
Rot. Bonds6

About N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide

N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide (PubChem CID 172658453) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide
PubChem CID172658453
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc(C)c(NC(=O)C2CCCCO2)c1
InChIInChI=1S/C22H26N2O3S/c1-3-28-20-10-5-4-8-17(20)23-21(25)16-12-11-15(2)18(14-16)24-22(26)19-9-6-7-13-27-19/h4-5,8,10-12,14,19H,3,6-7,9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWUDNEMVMUHPAO-UHFFFAOYSA-N
XLogP4.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
(2S)-N-[2-methyl-5-[(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 164639190
ethyl [4-[[2-(oxolane-2-carbonylamino)phenyl]carbamoyl]phenyl] carbonate
CID 108931010
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
CID 2973789
4-(benzenesulfonamido)-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 46763590
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
CID 60802805
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide?
The IUPAC name of N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide (CID 172658453) is N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide.
What is the SMILES notation for N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide?
The canonical SMILES for N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide is CCSc1ccccc1NC(=O)c1ccc(C)c(NC(=O)C2CCCCO2)c1.
What is the InChIKey of N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide?
The InChIKey is GWUDNEMVMUHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-3-28-20-10-5-4-8-17(20)23-21(25)16-12-11-15(2)18(14-16)24-22(26)19-9-6-7-13-27-19/h4-5,8,10-12,14,19H,3,6-7,9,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide?
N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-ethylsulfanylphenyl)carbamoyl]-2-methylphenyl]oxane-2-carboxamide is sourced from PubChem (CID 172658453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).