(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide

C18H23N3O4S — CID 30825134

IUPAC(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-12(14-8-10-15(11-9-14)26(19,23)24)20-13(2)18(22)21-16-6-4-5-7-17(16)25-3/h4-13,20H,1-3H3,(H,21,22)(H2,19,23,24)/t12-,13-/m0/s1
InChIKeyOGIBFZICABFOFZ-STQMWFEESA-N
MW377.47 g/mol
LogP2.02
Rot. Bonds7

About (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide

(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide (PubChem CID 30825134) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide
PubChem CID30825134
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-12(14-8-10-15(11-9-14)26(19,23)24)20-13(2)18(22)21-16-6-4-5-7-17(16)25-3/h4-13,20H,1-3H3,(H,21,22)(H2,19,23,24)/t12-,13-/m0/s1
InChIKeyOGIBFZICABFOFZ-STQMWFEESA-N
XLogP2.02
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
N-(2-methoxyphenyl)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 42918152
(2S)-N-(2-methoxyphenyl)-2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 39948957
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 51925561
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2-methoxyphenyl)acetate
CID 9336979
(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 51925556
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide (CID 30825134) is (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide is COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide?
The InChIKey is OGIBFZICABFOFZ-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12(14-8-10-15(11-9-14)26(19,23)24)20-13(2)18(22)21-16-6-4-5-7-17(16)25-3/h4-13,20H,1-3H3,(H,21,22)(H2,19,23,24)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide?
(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide has a molecular weight of 377.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 30825134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).