N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide

C30H42FN3O5S — CID 42880726

IUPACN-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCCCc1ccc(C(=O)N2CCC(N(Cc3cccc(F)c3)C(=O)CN(CCOC)S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C30H42FN3O5S/c1-4-6-8-24-11-13-26(14-12-24)30(36)32-17-15-28(16-18-32)34(22-25-9-7-10-27(31)21-25)29(35)23-33(19-20-39-3)40(37,38)5-2/h7,9-14,21,28H,4-6,8,15-20,22-23H2,1-3H3
InChIKeyJQFPEWFDNLNTII-UHFFFAOYSA-N
MW575.75 g/mol
LogP4.10
Rot. Bonds14

About N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide

N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 42880726) has the molecular formula C30H42FN3O5S and a molecular weight of 575.75 g/mol. Its IUPAC name is N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID42880726
Molecular FormulaC30H42FN3O5S
Molecular Weight575.75 g/mol
Exact Mass575.28
IUPAC NameN-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCCCc1ccc(C(=O)N2CCC(N(Cc3cccc(F)c3)C(=O)CN(CCOC)S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C30H42FN3O5S/c1-4-6-8-24-11-13-26(14-12-24)30(36)32-17-15-28(16-18-32)34(22-25-9-7-10-27(31)21-25)29(35)23-33(19-20-39-3)40(37,38)5-2/h7,9-14,21,28H,4-6,8,15-20,22-23H2,1-3H3
InChIKeyJQFPEWFDNLNTII-UHFFFAOYSA-N
XLogP4.10
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 42880718
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
CID 93016444
ethyl 4-[4-[[2-[ethylsulfonyl(2-methoxyethyl)amino]acetyl]-[(3-fluorophenyl)methyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 46108834
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108060
N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108758
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-octanoylpiperidin-4-yl)acetamide
CID 46108795
N-[1-(4-bromobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108778
N-[1-(4-butoxybenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108875
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108949
N-tert-butyl-4-[(3-chlorophenyl)methyl-[2-[2-methoxyethyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108906
2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362
2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 46108379

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide (CID 42880726) is N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide is CCCCc1ccc(C(=O)N2CCC(N(Cc3cccc(F)c3)C(=O)CN(CCOC)S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is JQFPEWFDNLNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN3O5S/c1-4-6-8-24-11-13-26(14-12-24)30(36)32-17-15-28(16-18-32)34(22-25-9-7-10-27(31)21-25)29(35)23-33(19-20-39-3)40(37,38)5-2/h7,9-14,21,28H,4-6,8,15-20,22-23H2,1-3H3.
What are the key properties of N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide?
N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 575.75 g/mol, XLogP of 4.10, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 42880726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).