N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C20H28N4O5S — CID 46341317

IUPACN-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H28N4O5S/c25-19(24-12-10-23(11-13-24)15-4-2-1-3-5-15)8-9-21-30(27,28)16-6-7-17-18(14-16)29-20(26)22-17/h6-7,14-15,21H,1-5,8-13H2,(H,22,26)
InChIKeyQIYWAVUDBLILOK-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.27
Rot. Bonds6

About N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 46341317) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID46341317
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H28N4O5S/c25-19(24-12-10-23(11-13-24)15-4-2-1-3-5-15)8-9-21-30(27,28)16-6-7-17-18(14-16)29-20(26)22-17/h6-7,14-15,21H,1-5,8-13H2,(H,22,26)
InChIKeyQIYWAVUDBLILOK-UHFFFAOYSA-N
XLogP1.27
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

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3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
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6-(4-butanoylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
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N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
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2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
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2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
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N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110370794
N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 24793730
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 46341317) is N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is QIYWAVUDBLILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c25-19(24-12-10-23(11-13-24)15-4-2-1-3-5-15)8-9-21-30(27,28)16-6-7-17-18(14-16)29-20(26)22-17/h6-7,14-15,21H,1-5,8-13H2,(H,22,26).
What are the key properties of N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 436.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 46341317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).