(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide

C21H29N3O3S — CID 8992451

IUPAC(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-16-6-8-17(9-7-16)20(14(2)3)23-15(4)21(25)24-18-10-12-19(13-11-18)28(22,26)27/h6-15,20,23H,5H2,1-4H3,(H,24,25)(H2,22,26,27)/t15-,20+/m1/s1
InChIKeyIQUQNNRQHCBCMF-QRWLVFNGSA-N
MW403.55 g/mol
LogP3.21
Rot. Bonds8

About (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide

(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 8992451) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID8992451
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-16-6-8-17(9-7-16)20(14(2)3)23-15(4)21(25)24-18-10-12-19(13-11-18)28(22,26)27/h6-15,20,23H,5H2,1-4H3,(H,24,25)(H2,22,26,27)/t15-,20+/m1/s1
InChIKeyIQUQNNRQHCBCMF-QRWLVFNGSA-N
XLogP3.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935
(2S)-N-(4-acetamidophenyl)-2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]propanamide
CID 8834174
1-(4-ethylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684466
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
CID 8923032
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 41095619
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
3-(3,4-dihydroxyphenyl)-2-methyl-N-(4-sulfamoylphenyl)propanamide
CID 84578792
cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915940

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide (CID 8992451) is (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide is CCc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is IQUQNNRQHCBCMF-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-16-6-8-17(9-7-16)20(14(2)3)23-15(4)21(25)24-18-10-12-19(13-11-18)28(22,26)27/h6-15,20,23H,5H2,1-4H3,(H,24,25)(H2,22,26,27)/t15-,20+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 403.55 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 8992451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).