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

C17H17ClN2O4S — CID 7482889

IUPACbenzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-11-14(20-9-4-10-25(20,22)23)7-8-16(15)19-17(21)24-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,19,21)
InChIKeyHIYBFGGMJNYCST-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.63
Rot. Bonds4

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

benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate (PubChem CID 7482889) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
PubChem CID7482889
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Namebenzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-11-14(20-9-4-10-25(20,22)23)7-8-16(15)19-17(21)24-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,19,21)
InChIKeyHIYBFGGMJNYCST-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7627537
[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7482876
ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
CID 7482878
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
2-[[3-chloro-4-(phenylmethoxycarbonylamino)benzoyl]amino]acetic acid
CID 90965198
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55693811
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate (CID 7482889) is benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
The InChIKey is HIYBFGGMJNYCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-15-11-14(20-9-4-10-25(20,22)23)7-8-16(15)19-17(21)24-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,19,21).
What are the key properties of benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate?
benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate has a molecular weight of 380.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate is sourced from PubChem (CID 7482889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).