(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H29N3O4S — CID 9356827

IUPAC(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H29N3O4S/c1-15(2)23-29(26,27)20-11-9-18(10-12-20)22-21(25)16(3)24(4)14-17-7-6-8-19(13-17)28-5/h6-13,15-16,23H,14H2,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyUXJUNPJZGVYOLG-MRXNPFEDSA-N
MW419.55 g/mol
LogP2.84
Rot. Bonds9

About (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 9356827) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID9356827
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H29N3O4S/c1-15(2)23-29(26,27)20-11-9-18(10-12-20)22-21(25)16(3)24(4)14-17-7-6-8-19(13-17)28-5/h6-13,15-16,23H,14H2,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyUXJUNPJZGVYOLG-MRXNPFEDSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356865
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 40896299
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 55525219
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 2222071
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 9356827) is (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is UXJUNPJZGVYOLG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-15(2)23-29(26,27)20-11-9-18(10-12-20)22-21(25)16(3)24(4)14-17-7-6-8-19(13-17)28-5/h6-13,15-16,23H,14H2,1-5H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9356827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).