N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide

C30H30N2O4S — CID 57211535

IUPACN-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide
SMILESCC(=O)N(C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C30H30N2O4S/c1-23(33)32(37(34,35)22-24-9-3-2-4-10-24)30(19-7-8-20-30)26-14-17-28(18-15-26)36-21-27-16-13-25-11-5-6-12-29(25)31-27/h2-6,9-18H,7-8,19-22H2,1H3
InChIKeyIAGGNXSNNYWYKB-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.96
Rot. Bonds8

About N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide

N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide (PubChem CID 57211535) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide
PubChem CID57211535
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC NameN-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide
SMILESCC(=O)N(C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C30H30N2O4S/c1-23(33)32(37(34,35)22-24-9-3-2-4-10-24)30(19-7-8-20-30)26-14-17-28(18-15-26)36-21-27-16-13-25-11-5-6-12-29(25)31-27/h2-6,9-18H,7-8,19-22H2,1H3
InChIKeyIAGGNXSNNYWYKB-UHFFFAOYSA-N
XLogP5.96
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
CID 67726997
CID 67726997
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 10698227
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide?
The IUPAC name of N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide (CID 57211535) is N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide.
What is the SMILES notation for N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide?
The canonical SMILES for N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide is CC(=O)N(C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide?
The InChIKey is IAGGNXSNNYWYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-23(33)32(37(34,35)22-24-9-3-2-4-10-24)30(19-7-8-20-30)26-14-17-28(18-15-26)36-21-27-16-13-25-11-5-6-12-29(25)31-27/h2-6,9-18H,7-8,19-22H2,1H3.
What are the key properties of N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide?
N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide is sourced from PubChem (CID 57211535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).