(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C24H32N4O5S — CID 99967604

IUPAC(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C24H32N4O5S/c1-5-33-22-11-10-21(16-17(22)2)34(31,32)26-18(3)23(29)25-20-8-6-19(7-9-20)24(30)28-14-12-27(4)13-15-28/h6-11,16,18,26H,5,12-15H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyXVGHRSHYXDLIHM-GOSISDBHSA-N
MW488.61 g/mol
LogP2.09
Rot. Bonds8

About (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 99967604) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID99967604
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C24H32N4O5S/c1-5-33-22-11-10-21(16-17(22)2)34(31,32)26-18(3)23(29)25-20-8-6-19(7-9-20)24(30)28-14-12-27(4)13-15-28/h6-11,16,18,26H,5,12-15H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyXVGHRSHYXDLIHM-GOSISDBHSA-N
XLogP2.09
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968022
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 132687249
(3S)-1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967841
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968082
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549474
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968127
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 30165324
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
(2S)-2-(benzenesulfonamido)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 99967641
(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804678

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 99967604) is (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C.
What is the InChIKey of (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is XVGHRSHYXDLIHM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-5-33-22-11-10-21(16-17(22)2)34(31,32)26-18(3)23(29)25-20-8-6-19(7-9-20)24(30)28-14-12-27(4)13-15-28/h6-11,16,18,26H,5,12-15H2,1-4H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 488.61 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 99967604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).