N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide

C19H29N3O4S — CID 121087464

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C19H29N3O4S/c1-27(24,25)22-13-11-21(12-14-22)10-9-20-18(23)19(7-15-26-16-8-19)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,20,23)
InChIKeyHFFJNIZDJSMJJD-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 121087464) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID121087464
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C19H29N3O4S/c1-27(24,25)22-13-11-21(12-14-22)10-9-20-18(23)19(7-15-26-16-8-19)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,20,23)
InChIKeyHFFJNIZDJSMJJD-UHFFFAOYSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-phenyloxane-4-carboxamide
CID 47030118
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 29195577
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
CID 55668918
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide (CID 121087464) is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide is CS(=O)(=O)N1CCN(CCNC(=O)C2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is HFFJNIZDJSMJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-27(24,25)22-13-11-21(12-14-22)10-9-20-18(23)19(7-15-26-16-8-19)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 121087464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).