1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea

C22H29N3O3S — CID 86876840

IUPAC1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
SMILESCC(NC(=O)N(CC1CC1)C(C)c1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O3S/c1-16(20-10-7-11-21(14-20)24-29(3,27)28)23-22(26)25(15-18-12-13-18)17(2)19-8-5-4-6-9-19/h4-11,14,16-18,24H,12-13,15H2,1-3H3,(H,23,26)
InChIKeyYCVAYGORDVJBQY-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.30
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea

1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea (PubChem CID 86876840) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
PubChem CID86876840
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
SMILESCC(NC(=O)N(CC1CC1)C(C)c1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O3S/c1-16(20-10-7-11-21(14-20)24-29(3,27)28)23-22(26)25(15-18-12-13-18)17(2)19-8-5-4-6-9-19/h4-11,14,16-18,24H,12-13,15H2,1-3H3,(H,23,26)
InChIKeyYCVAYGORDVJBQY-UHFFFAOYSA-N
XLogP4.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-[1-(3,4-difluorophenyl)ethyl]-1-(1-phenylethyl)urea
CID 86876537
1-cyclohexyl-3-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-prop-2-ynylurea
CID 95241425
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
1-(cyclopropylmethyl)-3-[[3-(methylsulfamoyl)phenyl]methyl]-1-(1-phenylethyl)urea
CID 86876562
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea (CID 86876840) is 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea is CC(NC(=O)N(CC1CC1)C(C)c1ccccc1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea?
The InChIKey is YCVAYGORDVJBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-16(20-10-7-11-21(14-20)24-29(3,27)28)23-22(26)25(15-18-12-13-18)17(2)19-8-5-4-6-9-19/h4-11,14,16-18,24H,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea?
1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea has a molecular weight of 415.56 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 86876840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).