(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid

C18H18N2O4S — CID 139774601

IUPAC(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid
SMILESCc1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc3)cc2c1
InChIInChI=1S/C18H18N2O4S/c1-11-3-8-16-14(9-11)10-17(19-16)13-4-6-15(7-5-13)25(23,24)20-12(2)18(21)22/h3-10,12,19-20H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyBEIOLFMURFNFDL-GFCCVEGCSA-N
MW358.42 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid

(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid (PubChem CID 139774601) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid
PubChem CID139774601
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid
SMILESCc1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc3)cc2c1
InChIInChI=1S/C18H18N2O4S/c1-11-3-8-16-14(9-11)10-17(19-16)13-4-6-15(7-5-13)25(23,24)20-12(2)18(21)22/h3-10,12,19-20H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyBEIOLFMURFNFDL-GFCCVEGCSA-N
XLogP2.89
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694484
2-[(4-methylphenyl)sulfonylamino]propanoic acid;5-phenyl-1H-pyrrol-3-ol
CID 166746635
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2R)-2-[[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylamino]propanoic acid
CID 67589218
(2S)-2-[[4-(4-hydroxysulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 163865049
(2S)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 142835559
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
N-ethyl-2-[(3-methyl-2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126823529
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid (CID 139774601) is (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid is Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc3)cc2c1.
What is the InChIKey of (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is BEIOLFMURFNFDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-3-8-16-14(9-11)10-17(19-16)13-4-6-15(7-5-13)25(23,24)20-12(2)18(21)22/h3-10,12,19-20H,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid?
(2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 358.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(5-methyl-1H-indol-2-yl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 139774601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).