N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

C18H28N2O4S — CID 113138072

IUPACN-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCCN(C(=O)CCN(CC1CCCO1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C18H28N2O4S/c1-4-20(16-8-5-7-15(2)13-16)18(21)10-11-19(25(3,22)23)14-17-9-6-12-24-17/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3
InChIKeyCEWAZXPUTRWNON-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.18
Rot. Bonds8

About N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 113138072) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID113138072
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCCN(C(=O)CCN(CC1CCCO1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C18H28N2O4S/c1-4-20(16-8-5-7-15(2)13-16)18(21)10-11-19(25(3,22)23)14-17-9-6-12-24-17/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3
InChIKeyCEWAZXPUTRWNON-UHFFFAOYSA-N
XLogP2.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137357
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
CID 107736146
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (CID 113138072) is N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is CCN(C(=O)CCN(CC1CCCO1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is CEWAZXPUTRWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-20(16-8-5-7-15(2)13-16)18(21)10-11-19(25(3,22)23)14-17-9-6-12-24-17/h5,7-8,13,17H,4,6,9-12,14H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113138072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).