1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea

C23H33FN4O4S — CID 150777650

IUPAC1-[3-(diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)NC1=C(C=C(C=C1C(C)C)F)C2=CC(=NC=C2)OC
InChIInChI=1S/C23H33FN4O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)26-22-19(16(3)4)14-18(24)15-20(22)17-9-10-25-21(13-17)32-5/h9-10,13-16H,6-8,11-12H2,1-5H3,(H2,26,27,29)
InChIKeyKBERSETWUGRSQO-UHFFFAOYSA-N
MW480.60 g/mol
LogP4.30
Rot. Bonds11

About 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea

1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea (PubChem CID 150777650) has the molecular formula C23H33FN4O4S and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea.

Molecular Properties

Compound Name1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
PubChem CID150777650
Molecular FormulaC23H33FN4O4S
Molecular Weight480.60 g/mol
Exact Mass480.22
IUPAC Name1-[3-(diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)NC1=C(C=C(C=C1C(C)C)F)C2=CC(=NC=C2)OC
InChIInChI=1S/C23H33FN4O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)26-22-19(16(3)4)14-18(24)15-20(22)17-9-10-25-21(13-17)32-5/h9-10,13-16H,6-8,11-12H2,1-5H3,(H2,26,27,29)
InChIKeyKBERSETWUGRSQO-UHFFFAOYSA-N
XLogP4.30
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity699

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea with MolForge

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Related Compounds

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea
CID 137403200
1-cyclopropylsulfonyl-3-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 172446498
1-[[4-(2-Hydroxypropan-2-yl)-1,3-selenazol-2-yl]sulfonyl]-3-[2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
CID 172470363
US20250115591, Example 166
CID 137380069
US20250115591, Example 186
CID 137402955
US20250115591, Example 158
CID 150942302
US20250115591, Example 177
CID 151104629
US20250115591, Example 173
CID 151105939
US20250115591, Example 162
CID 153526455
US20250115591, Example 101
CID 153636202
C-(2-Methoxy-phenyl)-N-[4-(3-pyridin-4-ylmethyl-ureido)-phenyl]-methanesulfonamide
CID 135222902
1-[[5-[(4-Ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 23658771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea?
The IUPAC name of 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea (CID 150777650) is 1-[3-(diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea.
What is the SMILES notation for 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea?
The canonical SMILES for 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea is CCN(CC)CCCS(=O)(=O)NC(=O)NC1=C(C=C(C=C1C(C)C)F)C2=CC(=NC=C2)OC.
What is the InChIKey of 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea?
The InChIKey is KBERSETWUGRSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)26-22-19(16(3)4)14-18(24)15-20(22)17-9-10-25-21(13-17)32-5/h9-10,13-16H,6-8,11-12H2,1-5H3,(H2,26,27,29).
What are the key properties of 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea?
1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea has a molecular weight of 480.60 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(Diethylamino)propylsulfonyl]-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea is sourced from PubChem (CID 150777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).