N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

C24H29N3O5S — CID 53124861

IUPACN-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(C)c(C)c4)CC3)ccc21
InChIInChI=1S/C24H29N3O5S/c1-4-27-21-8-7-20(15-22(21)32-24(27)29)33(30,31)26-11-9-18(10-12-26)14-23(28)25-19-6-5-16(2)17(3)13-19/h5-8,13,15,18H,4,9-12,14H2,1-3H3,(H,25,28)
InChIKeyISSLQYWFEOSWHR-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.66
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 53124861) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
PubChem CID53124861
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(C)c(C)c4)CC3)ccc21
InChIInChI=1S/C24H29N3O5S/c1-4-27-21-8-7-20(15-22(21)32-24(27)29)33(30,31)26-11-9-18(10-12-26)14-23(28)25-19-6-5-16(2)17(3)13-19/h5-8,13,15,18H,4,9-12,14H2,1-3H3,(H,25,28)
InChIKeyISSLQYWFEOSWHR-UHFFFAOYSA-N
XLogP3.66
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
N-(3-chloro-4-fluorophenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124877
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 53124829
N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124967
N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124987
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
CID 53124862
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53124882
N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124902
3-ethyl-6-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110311408
N-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
N-[4-[2-[4-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53121281
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110421389

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (CID 53124861) is N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(C)c(C)c4)CC3)ccc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The InChIKey is ISSLQYWFEOSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-4-27-21-8-7-20(15-22(21)32-24(27)29)33(30,31)26-11-9-18(10-12-26)14-23(28)25-19-6-5-16(2)17(3)13-19/h5-8,13,15,18H,4,9-12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53124861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).