[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea

C19H23N3OS — CID 167826541

IUPAC[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea
SMILESCC(NC1CC(Sc2ccccc2)C1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H23N3OS/c1-13(14-7-9-15(10-8-14)22-19(20)23)21-16-11-18(12-16)24-17-5-3-2-4-6-17/h2-10,13,16,18,21H,11-12H2,1H3,(H3,20,22,23)
InChIKeyDTFIWYAZLTWZQF-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.15
Rot. Bonds6

About [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea

[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea (PubChem CID 167826541) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea
PubChem CID167826541
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea
SMILESCC(NC1CC(Sc2ccccc2)C1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H23N3OS/c1-13(14-7-9-15(10-8-14)22-19(20)23)21-16-11-18(12-16)24-17-5-3-2-4-6-17/h2-10,13,16,18,21H,11-12H2,1H3,(H3,20,22,23)
InChIKeyDTFIWYAZLTWZQF-UHFFFAOYSA-N
XLogP4.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
CID 79731111
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea (CID 167826541) is [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea is CC(NC1CC(Sc2ccccc2)C1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea?
The InChIKey is DTFIWYAZLTWZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13(14-7-9-15(10-8-14)22-19(20)23)21-16-11-18(12-16)24-17-5-3-2-4-6-17/h2-10,13,16,18,21H,11-12H2,1H3,(H3,20,22,23).
What are the key properties of [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea?
[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea has a molecular weight of 341.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 167826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).