N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide

C20H29NO4S — CID 119063443

IUPACN-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1
InChIInChI=1S/C20H29NO4S/c1-15(2)25-18-7-5-16(6-8-18)20(11-3-4-12-20)19(22)21-17-9-13-26(23,24)14-10-17/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22)
InChIKeyXFZBEEZEOBNWMA-UHFFFAOYSA-N
MW379.52 g/mol
LogP2.98
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide

N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide (PubChem CID 119063443) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
PubChem CID119063443
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC NameN-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1
InChIInChI=1S/C20H29NO4S/c1-15(2)25-18-7-5-16(6-8-18)20(11-3-4-12-20)19(22)21-17-9-13-26(23,24)14-10-17/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22)
InChIKeyXFZBEEZEOBNWMA-UHFFFAOYSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-(4-tert-butylphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 94092482
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 54925385
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide (CID 119063443) is N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide is CC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is XFZBEEZEOBNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-15(2)25-18-7-5-16(6-8-18)20(11-3-4-12-20)19(22)21-17-9-13-26(23,24)14-10-17/h5-8,15,17H,3-4,9-14H2,1-2H3,(H,21,22).
What are the key properties of N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide?
N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 379.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119063443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).