1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

C21H22N4O4S — CID 135223084

IUPAC1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(CS(=O)(=O)Nc2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-29-20-4-2-3-17(13-20)15-30(27,28)25-19-7-5-18(6-8-19)24-21(26)23-14-16-9-11-22-12-10-16/h2-13,25H,14-15H2,1H3,(H2,23,24,26)
InChIKeyMZEGQDLBTUREDL-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.35
Rot. Bonds8

About 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135223084) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135223084
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(CS(=O)(=O)Nc2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-29-20-4-2-3-17(13-20)15-30(27,28)25-19-7-5-18(6-8-19)24-21(26)23-14-16-9-11-22-12-10-16/h2-13,25H,14-15H2,1H3,(H2,23,24,26)
InChIKeyMZEGQDLBTUREDL-UHFFFAOYSA-N
XLogP3.35
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-Methoxyphenyl)methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 68521624
1-[4-(2-Amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68523303
1-[4-[[2-Methoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610094
3-{4-[(5-Fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridin-3-ylmethyl)urea
CID 66610693
3-{4-[(2-Fluoro-3-methoxybenzene)sulfonyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66611206
1-[4-[[2-(Difluoromethoxy)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 89845328
1-[4-(Benzenesulfonyl)phenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 71655772
3-{4-[(4-Fluoro-2-methoxybenzene)sulfonyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 56929727
N-[4-(1-butylsulfonylpiperidin-4-yl)oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510993
N-[4-(1-ethylsulfonylpiperidin-4-yl)oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510997
N-[4-(1-propan-2-ylsulfonylpiperidin-4-yl)oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510998
N-[4-(1-propylsulfonylpiperidin-4-yl)oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57511000

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135223084) is 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea is COc1cccc(CS(=O)(=O)Nc2ccc(NC(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is MZEGQDLBTUREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-29-20-4-2-3-17(13-20)15-30(27,28)25-19-7-5-18(6-8-19)24-21(26)23-14-16-9-11-22-12-10-16/h2-13,25H,14-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 426.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).