(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide

C14H22N2O4S — CID 2289786

IUPAC(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCOCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12(14(17)15-10-7-11-20-2)16(21(3,18)19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyCUUCMYRZWMSVQX-LBPRGKRZSA-N
MW314.41 g/mol
LogP0.99
Rot. Bonds8

About (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide

(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 2289786) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID2289786
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCOCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12(14(17)15-10-7-11-20-2)16(21(3,18)19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyCUUCMYRZWMSVQX-LBPRGKRZSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133165887
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133166033
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185271
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
(2S)-N-(2-tert-butylsulfanylethyl)-2-(N-methylsulfonylanilino)propanamide
CID 7303925
(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126124356
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide (CID 2289786) is (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide is COCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is CUUCMYRZWMSVQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12(14(17)15-10-7-11-20-2)16(21(3,18)19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide?
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2289786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).