(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

C21H29N3O5S2 — CID 24537159

IUPAC(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C21H29N3O5S2/c1-13-12-14(2)16(4)20(15(13)3)31(28,29)24-17(5)21(25)23-11-10-18-6-8-19(9-7-18)30(22,26)27/h6-9,12,17,24H,10-11H2,1-5H3,(H,23,25)(H2,22,26,27)/t17-/m0/s1
InChIKeyJGFCHJYGQOXMQQ-KRWDZBQOSA-N
MW467.61 g/mol
LogP1.59
Rot. Bonds8

About (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (PubChem CID 24537159) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
PubChem CID24537159
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Name(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C21H29N3O5S2/c1-13-12-14(2)16(4)20(15(13)3)31(28,29)24-17(5)21(25)23-11-10-18-6-8-19(9-7-18)30(22,26)27/h6-9,12,17,24H,10-11H2,1-5H3,(H,23,25)(H2,22,26,27)/t17-/m0/s1
InChIKeyJGFCHJYGQOXMQQ-KRWDZBQOSA-N
XLogP1.59
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738290
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (CID 24537159) is (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The InChIKey is JGFCHJYGQOXMQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-13-12-14(2)16(4)20(15(13)3)31(28,29)24-17(5)21(25)23-11-10-18-6-8-19(9-7-18)30(22,26)27/h6-9,12,17,24H,10-11H2,1-5H3,(H,23,25)(H2,22,26,27)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide has a molecular weight of 467.61 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24537159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).