1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea

C18H21Cl2N3O4S2 — CID 41191116

IUPAC1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H21Cl2N3O4S2/c1-22(12-13-3-2-4-15(19)17(13)20)18(24)21-11-14-5-6-16(28-14)29(25,26)23-7-9-27-10-8-23/h2-6H,7-12H2,1H3,(H,21,24)
InChIKeyLPWGUVIJRKGDNV-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.42
Rot. Bonds6

About 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea

1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea (PubChem CID 41191116) has the molecular formula C18H21Cl2N3O4S2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
PubChem CID41191116
Molecular FormulaC18H21Cl2N3O4S2
Molecular Weight478.42 g/mol
Exact Mass477.04
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C18H21Cl2N3O4S2/c1-22(12-13-3-2-4-15(19)17(13)20)18(24)21-11-14-5-6-16(28-14)29(25,26)23-7-9-27-10-8-23/h2-6H,7-12H2,1H3,(H,21,24)
InChIKeyLPWGUVIJRKGDNV-UHFFFAOYSA-N
XLogP3.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-[(1R)-1-phenylethyl]urea
CID 41191153
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
2-(7-ethyl-1H-indol-3-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 86904188
2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 55478999
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea
CID 46594023
(2R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(3-chlorophenoxy)propanamide
CID 95086831
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37351957
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea (CID 41191116) is 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea is CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The InChIKey is LPWGUVIJRKGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S2/c1-22(12-13-3-2-4-15(19)17(13)20)18(24)21-11-14-5-6-16(28-14)29(25,26)23-7-9-27-10-8-23/h2-6H,7-12H2,1H3,(H,21,24).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea has a molecular weight of 478.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 41191116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).