1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea

C19H25N3O3S — CID 174454589

IUPAC1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
SMILESCCc1ccc(C)cc1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-16-7-4-14(2)12-17(16)10-11-21-19(23)22-26(24,25)18-8-5-15(13-20)6-9-18/h4-9,12H,3,10-11,13,20H2,1-2H3,(H2,21,22,23)
InChIKeyNFCARGGPYQVLMT-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.25
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea

1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea (PubChem CID 174454589) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
PubChem CID174454589
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
SMILESCCc1ccc(C)cc1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-16-7-4-14(2)12-17(16)10-11-21-19(23)22-26(24,25)18-8-5-15(13-20)6-9-18/h4-9,12H,3,10-11,13,20H2,1-2H3,(H2,21,22,23)
InChIKeyNFCARGGPYQVLMT-UHFFFAOYSA-N
XLogP2.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea
CID 174454675
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-[4-(5-chloro-2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]urea
CID 172814931
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
CID 159827963
CID 159827963
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea (CID 174454589) is 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea is CCc1ccc(C)cc1CCNC(=O)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea?
The InChIKey is NFCARGGPYQVLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-16-7-4-14(2)12-17(16)10-11-21-19(23)22-26(24,25)18-8-5-15(13-20)6-9-18/h4-9,12H,3,10-11,13,20H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea?
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea has a molecular weight of 375.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea is sourced from PubChem (CID 174454589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).