N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide

C19H25N3O6S2 — CID 44654174

IUPACN-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H25N3O6S2/c1-22(29(3,24)25)17-13-16(9-10-18(17)28-2)30(26,27)21-12-11-19(23)20-14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23)
InChIKeyNFUCLTISAUEDPB-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.08
Rot. Bonds10

About N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide

N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide (PubChem CID 44654174) has the molecular formula C19H25N3O6S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
PubChem CID44654174
Molecular FormulaC19H25N3O6S2
Molecular Weight455.56 g/mol
Exact Mass455.12
IUPAC NameN-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H25N3O6S2/c1-22(29(3,24)25)17-13-16(9-10-18(17)28-2)30(26,27)21-12-11-19(23)20-14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23)
InChIKeyNFUCLTISAUEDPB-UHFFFAOYSA-N
XLogP1.08
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 71945662
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
N-methyl-4-[[3-(naphthalen-2-ylsulfonylamino)propanoylamino]methyl]-N-propan-2-ylbenzamide
CID 55636084
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide?
The IUPAC name of N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide (CID 44654174) is N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide?
The InChIKey is NFUCLTISAUEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S2/c1-22(29(3,24)25)17-13-16(9-10-18(17)28-2)30(26,27)21-12-11-19(23)20-14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23).
What are the key properties of N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide?
N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide has a molecular weight of 455.56 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 44654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).