(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C16H26N2O5S — CID 126124356

IUPAC(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-5-23-12-6-11-17-16(19)13(2)18(24(4,20)21)14-7-9-15(22-3)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeySBNHESHCTPMINI-CYBMUJFWSA-N
MW358.46 g/mol
LogP1.39
Rot. Bonds10

About (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 126124356) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID126124356
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-5-23-12-6-11-17-16(19)13(2)18(24(4,20)21)14-7-9-15(22-3)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeySBNHESHCTPMINI-CYBMUJFWSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-ethoxypropyl)propanamide
CID 126412397
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133185231
(2R)-N-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125081967
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126031838
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 126124356) is (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCOCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SBNHESHCTPMINI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-23-12-6-11-17-16(19)13(2)18(24(4,20)21)14-7-9-15(22-3)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 358.46 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126124356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).