benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate

C17H18N2O4S — CID 7627537

IUPACbenzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c20-17(23-13-14-5-2-1-3-6-14)18-15-7-9-16(10-8-15)19-11-4-12-24(19,21)22/h1-3,5-10H,4,11-13H2,(H,18,20)
InChIKeyNGZAXMDAVFCFCS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.98
Rot. Bonds4

About benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate

benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate (PubChem CID 7627537) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
PubChem CID7627537
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namebenzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c20-17(23-13-14-5-2-1-3-6-14)18-15-7-9-16(10-8-15)19-11-4-12-24(19,21)22/h1-3,5-10H,4,11-13H2,(H,18,20)
InChIKeyNGZAXMDAVFCFCS-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7482889
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
CID 110666721
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 75488929
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55693811
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 124852077
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633115
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate (CID 7627537) is benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The InChIKey is NGZAXMDAVFCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(23-13-14-5-2-1-3-6-14)18-15-7-9-16(10-8-15)19-11-4-12-24(19,21)22/h1-3,5-10H,4,11-13H2,(H,18,20).
What are the key properties of benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate is sourced from PubChem (CID 7627537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).