1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea

C24H36N4O3S — CID 14855277

IUPAC1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
SMILESCCN(CC)CCNC(=O)N(CCN(C)c1ccccc1)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H36N4O3S/c1-4-27(5-2)17-16-25-24(29)28(19-18-26(3)22-12-8-6-9-13-22)20-21-32(30,31)23-14-10-7-11-15-23/h6-15H,4-5,16-21H2,1-3H3,(H,25,29)
InChIKeyCXLWHOFRQYVXCB-UHFFFAOYSA-N
MW460.64 g/mol
LogP2.95
Rot. Bonds13

About 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea

1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea (PubChem CID 14855277) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
PubChem CID14855277
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
SMILESCCN(CC)CCNC(=O)N(CCN(C)c1ccccc1)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H36N4O3S/c1-4-27(5-2)17-16-25-24(29)28(19-18-26(3)22-12-8-6-9-13-22)20-21-32(30,31)23-14-10-7-11-15-23/h6-15H,4-5,16-21H2,1-3H3,(H,25,29)
InChIKeyCXLWHOFRQYVXCB-UHFFFAOYSA-N
XLogP2.95
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-1,3-bis[2-(diethylamino)ethyl]urea
CID 14855265
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea
CID 14855287
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
3-[2-(benzenesulfonyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)urea
CID 87038970
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
1,3-bis[2-(diethylamino)ethyl]-1-(3-phenylpropyl)urea;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 70360564
2-[[2-(benzenesulfonyl)ethyl-propan-2-ylcarbamoyl]amino]ethyl-diethylazanium
CID 86308700
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-(benzenesulfonyl)acetic acid;N,N-diethylethanamine
CID 71345032
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea (CID 14855277) is 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea is CCN(CC)CCNC(=O)N(CCN(C)c1ccccc1)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea?
The InChIKey is CXLWHOFRQYVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-4-27(5-2)17-16-25-24(29)28(19-18-26(3)22-12-8-6-9-13-22)20-21-32(30,31)23-14-10-7-11-15-23/h6-15H,4-5,16-21H2,1-3H3,(H,25,29).
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea?
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea has a molecular weight of 460.64 g/mol, XLogP of 2.95, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea is sourced from PubChem (CID 14855277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).