cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

C22H30N3O3S+ — CID 8915940

IUPACcyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-15(2)18-6-4-17(5-7-18)14-25(20-10-11-20)16(3)22(26)24-19-8-12-21(13-9-19)29(23,27)28/h4-9,12-13,15-16,20H,10-11,14H2,1-3H3,(H,24,26)(H2,23,27,28)/p+1/t16-/m1/s1
InChIKeyPAZNCQCHOSNLRO-MRXNPFEDSA-O
MW416.57 g/mol
LogP2.03
Rot. Bonds8

About cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8915940) has the molecular formula C22H30N3O3S+ and a molecular weight of 416.57 g/mol. Its IUPAC name is cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID8915940
Molecular FormulaC22H30N3O3S+
Molecular Weight416.57 g/mol
Exact Mass416.20
IUPAC Namecyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-15(2)18-6-4-17(5-7-18)14-25(20-10-11-20)16(3)22(26)24-19-8-12-21(13-9-19)29(23,27)28/h4-9,12-13,15-16,20H,10-11,14H2,1-3H3,(H,24,26)(H2,23,27,28)/p+1/t16-/m1/s1
InChIKeyPAZNCQCHOSNLRO-MRXNPFEDSA-O
XLogP2.03
TPSA93.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium with MolForge

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654
(4-chlorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 2657461
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905141
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8992451
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
3-(3,4-dihydroxyphenyl)-2-methyl-N-(4-sulfamoylphenyl)propanamide
CID 84578792
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 31784566
3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 113416059

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium (CID 8915940) is cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C2CC2)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is PAZNCQCHOSNLRO-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H29N3O3S/c1-15(2)18-6-4-17(5-7-18)14-25(20-10-11-20)16(3)22(26)24-19-8-12-21(13-9-19)29(23,27)28/h4-9,12-13,15-16,20H,10-11,14H2,1-3H3,(H,24,26)(H2,23,27,28)/p+1/t16-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium?
cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 416.57 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8915940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).