2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C23H31N3O5S — CID 133204189

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCOc1cccc(N(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H31N3O5S/c1-18(26(32(3,28)29)21-5-4-6-22(15-21)30-2)23(27)24-16-19-7-9-20(10-8-19)17-25-11-13-31-14-12-25/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyGVUJHAPCZNAZEL-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.00
Rot. Bonds9

About 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 133204189) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID133204189
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCOc1cccc(N(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H31N3O5S/c1-18(26(32(3,28)29)21-5-4-6-22(15-21)30-2)23(27)24-16-19-7-9-20(10-8-19)17-25-11-13-31-14-12-25/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyGVUJHAPCZNAZEL-UHFFFAOYSA-N
XLogP2.00
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190492
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190418
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133234955
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190493
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 125072410
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189259
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190415
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015378

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 133204189) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is COc1cccc(N(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is GVUJHAPCZNAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-18(26(32(3,28)29)21-5-4-6-22(15-21)30-2)23(27)24-16-19-7-9-20(10-8-19)17-25-11-13-31-14-12-25/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 461.58 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 133204189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).