2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide

C24H26N4O6S2 — CID 67643685

IUPAC2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(N)(C(N)=O)c2ccc(C(N)(C(N)=O)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O6S2/c1-15-3-11-19(12-4-15)35(31,32)23(27,21(25)29)17-7-9-18(10-8-17)24(28,22(26)30)36(33,34)20-13-5-16(2)6-14-20/h3-14H,27-28H2,1-2H3,(H2,25,29)(H2,26,30)
InChIKeyJJUQWIJYJMBXQN-UHFFFAOYSA-N
MW530.63 g/mol
LogP0.44
Rot. Bonds8

About 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide

2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 67643685) has the molecular formula C24H26N4O6S2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID67643685
Molecular FormulaC24H26N4O6S2
Molecular Weight530.63 g/mol
Exact Mass530.13
IUPAC Name2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)C(N)(C(N)=O)c2ccc(C(N)(C(N)=O)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O6S2/c1-15-3-11-19(12-4-15)35(31,32)23(27,21(25)29)17-7-9-18(10-8-17)24(28,22(26)30)36(33,34)20-13-5-16(2)6-14-20/h3-14H,27-28H2,1-2H3,(H2,25,29)(H2,26,30)
InChIKeyJJUQWIJYJMBXQN-UHFFFAOYSA-N
XLogP0.44
TPSA206.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-bis(4-methylphenyl)propanediamide
CID 174721937
1-methyl-4-(tribromomethylsulfonyl)benzene
CID 562875
2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
CID 141074859
1-methyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)benzene
CID 53429734
carbamic acid;4-methylbenzenesulfonic acid
CID 172730422
1-(1,1-diiodoethylsulfonyl)-4-methylbenzene
CID 54291723
(4-methylphenyl)sulfonylurea;urea
CID 160676948
4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol
CID 139679371
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
3-ethylpentan-3-amine;4-methylbenzenesulfonic acid
CID 173307158
aminourea;4-methylbenzenesulfonamide
CID 174801132
(2R)-2-amino-2-(4-phenoxyphenyl)sulfonylpropanamide
CID 154454459

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide (CID 67643685) is 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)C(N)(C(N)=O)c2ccc(C(N)(C(N)=O)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is JJUQWIJYJMBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S2/c1-15-3-11-19(12-4-15)35(31,32)23(27,21(25)29)17-7-9-18(10-8-17)24(28,22(26)30)36(33,34)20-13-5-16(2)6-14-20/h3-14H,27-28H2,1-2H3,(H2,25,29)(H2,26,30).
What are the key properties of 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide?
2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 530.63 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 67643685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).