[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea

C16H24N4O5S — CID 7873367

IUPAC[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)cc1
InChIInChI=1S/C16H24N4O5S/c1-3-25-13-4-6-14(7-5-13)26(23,24)20-10-8-19(9-11-20)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22)/t12-/m0/s1
InChIKeyYMKDYUHVYYDPAZ-LBPRGKRZSA-N
MW384.46 g/mol
LogP-0.03
Rot. Bonds6

About [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea

[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 7873367) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID7873367
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)cc1
InChIInChI=1S/C16H24N4O5S/c1-3-25-13-4-6-14(7-5-13)26(23,24)20-10-8-19(9-11-20)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22)/t12-/m0/s1
InChIKeyYMKDYUHVYYDPAZ-LBPRGKRZSA-N
XLogP-0.03
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 55341498
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
(2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2664094
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512474
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811255
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567475
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea (CID 7873367) is [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)cc1.
What is the InChIKey of [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is YMKDYUHVYYDPAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-3-25-13-4-6-14(7-5-13)26(23,24)20-10-8-19(9-11-20)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22)/t12-/m0/s1.
What are the key properties of [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea?
[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 384.46 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 7873367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).