1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

C23H31N3O4S — CID 55909982

IUPAC1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-18(2)30-21-8-6-7-20(15-21)17-25-23(27)24-16-19-9-11-22(12-10-19)31(28,29)26-13-4-3-5-14-26/h6-12,15,18H,3-5,13-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeyVODDHRFLACJWGF-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.65
Rot. Bonds8

About 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55909982) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID55909982
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-18(2)30-21-8-6-7-20(15-21)17-25-23(27)24-16-19-9-11-22(12-10-19)31(28,29)26-13-4-3-5-14-26/h6-12,15,18H,3-5,13-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeyVODDHRFLACJWGF-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 55741388
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55922865
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
1-[(2,3-dimethoxyphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 55911015
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 55909982) is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is VODDHRFLACJWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18(2)30-21-8-6-7-20(15-21)17-25-23(27)24-16-19-9-11-22(12-10-19)31(28,29)26-13-4-3-5-14-26/h6-12,15,18H,3-5,13-14,16-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 445.59 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55909982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).