1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C14H21N5O5S — CID 118763815

IUPAC1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCN2CCNC2=O)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N5O5S/c1-24-12-4-3-10(9-11(12)18-25(2,22)23)17-13(20)15-5-7-19-8-6-16-14(19)21/h3-4,9,18H,5-8H2,1-2H3,(H,16,21)(H2,15,17,20)
InChIKeyBKWCOXADHSWQST-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.21
Rot. Bonds7

About 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 118763815) has the molecular formula C14H21N5O5S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID118763815
Molecular FormulaC14H21N5O5S
Molecular Weight371.42 g/mol
Exact Mass371.13
IUPAC Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCN2CCNC2=O)cc1NS(C)(=O)=O
InChIInChI=1S/C14H21N5O5S/c1-24-12-4-3-10(9-11(12)18-25(2,22)23)17-13(20)15-5-7-19-8-6-16-14(19)21/h3-4,9,18H,5-8H2,1-2H3,(H,16,21)(H2,15,17,20)
InChIKeyBKWCOXADHSWQST-UHFFFAOYSA-N
XLogP0.21
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
CID 72931818
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118780196
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
CID 118792157
4-amino-3-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 89186326
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 155962081
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72875346
1-naphthalen-1-yl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 2810883
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118772403

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 118763815) is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is COc1ccc(NC(=O)NCCN2CCNC2=O)cc1NS(C)(=O)=O.
What is the InChIKey of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is BKWCOXADHSWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5S/c1-24-12-4-3-10(9-11(12)18-25(2,22)23)17-13(20)15-5-7-19-8-6-16-14(19)21/h3-4,9,18H,5-8H2,1-2H3,(H,16,21)(H2,15,17,20).
What are the key properties of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 371.42 g/mol, XLogP of 0.21, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 118763815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).