2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C22H29N3O6S2 — CID 2981897

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C22H29N3O6S2/c1-16-5-8-20(15-17(16)2)25(32(4,27)28)18(3)22(26)23-19-6-9-21(10-7-19)33(29,30)24-11-13-31-14-12-24/h5-10,15,18H,11-14H2,1-4H3,(H,23,26)
InChIKeySHTWVMAEAUODLW-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.12
Rot. Bonds7

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2981897) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2981897
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C22H29N3O6S2/c1-16-5-8-20(15-17(16)2)25(32(4,27)28)18(3)22(26)23-19-6-9-21(10-7-19)33(29,30)24-11-13-31-14-12-24/h5-10,15,18H,11-14H2,1-4H3,(H,23,26)
InChIKeySHTWVMAEAUODLW-UHFFFAOYSA-N
XLogP2.12
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1147635
N-(3,4-dimethylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 764241
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1142790
ethyl 4-[N-(3,4-dimethylphenyl)-N-(phenylsulfonyl)glycyl]piperazine-1-carboxylate
CID 1148700
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
2-{Benzyl-[4-(morpholine-4-sulfonyl)-benzenesulfonyl]-amino}-N-phenyl-acetamide
CID 1435689
3-(4-morpholin-4-ylsulfonylphenyl)-N-naphthalen-2-ylpropanamide
CID 2359120
N-(4-sulfamoylphenyl)-2-(2-1,2,3,4-tetrahydroisoquinolyl)acetamide
CID 2549763
N-[4-[4-(4-phenylbutan-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2900397

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2981897) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is SHTWVMAEAUODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-16-5-8-20(15-17(16)2)25(32(4,27)28)18(3)22(26)23-19-6-9-21(10-7-19)33(29,30)24-11-13-31-14-12-24/h5-10,15,18H,11-14H2,1-4H3,(H,23,26).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 495.62 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2981897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).