(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide

C19H24ClN3O5S2 — CID 32996069

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H24ClN3O5S2/c1-13-4-5-14(2)18(12-13)30(27,28)22-11-10-21-19(24)15(3)23-29(25,26)17-8-6-16(20)7-9-17/h4-9,12,15,22-23H,10-11H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyHNPJKHNKEKNHED-HNNXBMFYSA-N
MW474.00 g/mol
LogP1.72
Rot. Bonds9

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 32996069) has the molecular formula C19H24ClN3O5S2 and a molecular weight of 474.00 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID32996069
Molecular FormulaC19H24ClN3O5S2
Molecular Weight474.00 g/mol
Exact Mass473.08
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H24ClN3O5S2/c1-13-4-5-14(2)18(12-13)30(27,28)22-11-10-21-19(24)15(3)23-29(25,26)17-8-6-16(20)7-9-17/h4-9,12,15,22-23H,10-11H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyHNPJKHNKEKNHED-HNNXBMFYSA-N
XLogP1.72
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 984233
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoate
CID 78554929
(2S)-2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoic acid
CID 992315
[2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide (CID 32996069) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is HNPJKHNKEKNHED-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S2/c1-13-4-5-14(2)18(12-13)30(27,28)22-11-10-21-19(24)15(3)23-29(25,26)17-8-6-16(20)7-9-17/h4-9,12,15,22-23H,10-11H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 474.00 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 32996069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).