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

C23H31N3O5S — CID 55741388

IUPAC1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1cccc(C(C)NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C23H31N3O5S/c1-17(2)31-21-6-4-5-20(15-21)18(3)25-23(27)24-16-19-7-9-22(10-8-19)32(28,29)26-11-13-30-14-12-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H2,24,25,27)
InChIKeyKTZSJXSAAFTHGF-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.06
Rot. Bonds8

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

1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 55741388) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
PubChem CID55741388
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCC(C)Oc1cccc(C(C)NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C23H31N3O5S/c1-17(2)31-21-6-4-5-20(15-21)18(3)25-23(27)24-16-19-7-9-22(10-8-19)32(28,29)26-11-13-30-14-12-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H2,24,25,27)
InChIKeyKTZSJXSAAFTHGF-UHFFFAOYSA-N
XLogP3.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55589999
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
1-[1-(4-chlorophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928242
5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 50837275
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 30126571
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea (CID 55741388) is 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea is CC(C)Oc1cccc(C(C)NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is KTZSJXSAAFTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-17(2)31-21-6-4-5-20(15-21)18(3)25-23(27)24-16-19-7-9-22(10-8-19)32(28,29)26-11-13-30-14-12-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea?
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 461.58 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 55741388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).