N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

C23H32N2O4S — CID 55347838

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccccc1CN(C)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C23H32N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-13-12-22(26)25(6)14-20-10-8-9-11-21(20)29-7/h8-11,24H,12-14H2,1-7H3
InChIKeyKMPVYMWWLITBPN-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.56
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (PubChem CID 55347838) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
PubChem CID55347838
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccccc1CN(C)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C23H32N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-13-12-22(26)25(6)14-20-10-8-9-11-21(20)29-7/h8-11,24H,12-14H2,1-7H3
InChIKeyKMPVYMWWLITBPN-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55653319
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55549968
2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid
CID 119171880
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (CID 55347838) is N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is COc1ccccc1CN(C)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The InChIKey is KMPVYMWWLITBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(27,28)24-13-12-22(26)25(6)14-20-10-8-9-11-21(20)29-7/h8-11,24H,12-14H2,1-7H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55347838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).