2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C29H35N3O7S2 — CID 43874647

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C29H35N3O7S2/c1-23-20-27(12-13-28(23)38-2)41(36,37)32(15-14-24-6-4-3-5-7-24)22-29(33)30-21-25-8-10-26(11-9-25)40(34,35)31-16-18-39-19-17-31/h3-13,20H,14-19,21-22H2,1-2H3,(H,30,33)
InChIKeyXEDYCOCRXPFNHA-UHFFFAOYSA-N
MW601.75 g/mol
LogP2.57
Rot. Bonds12

About 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874647) has the molecular formula C29H35N3O7S2 and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874647
Molecular FormulaC29H35N3O7S2
Molecular Weight601.75 g/mol
Exact Mass601.19
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C29H35N3O7S2/c1-23-20-27(12-13-28(23)38-2)41(36,37)32(15-14-24-6-4-3-5-7-24)22-29(33)30-21-25-8-10-26(11-9-25)40(34,35)31-16-18-39-19-17-31/h3-13,20H,14-19,21-22H2,1-2H3,(H,30,33)
InChIKeyXEDYCOCRXPFNHA-UHFFFAOYSA-N
XLogP2.57
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874368
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561386
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylpropanamide
CID 94861803
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874397
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 126394157
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561315
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874436
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126010484
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 43874647) is 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is XEDYCOCRXPFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O7S2/c1-23-20-27(12-13-28(23)38-2)41(36,37)32(15-14-24-6-4-3-5-7-24)22-29(33)30-21-25-8-10-26(11-9-25)40(34,35)31-16-18-39-19-17-31/h3-13,20H,14-19,21-22H2,1-2H3,(H,30,33).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 601.75 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).