1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea

C19H22ClN3OS — CID 3217863

IUPAC1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1cccs1
InChIInChI=1S/C19H22ClN3OS/c20-13-3-1-4-14(9-13)21-19(24)22-15-10-16-6-7-17(11-15)23(16)12-18-5-2-8-25-18/h1-5,8-9,15-17H,6-7,10-12H2,(H2,21,22,24)
InChIKeyZXBUYKRBLJKKDZ-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea

1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea (PubChem CID 3217863) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
PubChem CID3217863
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1cccs1
InChIInChI=1S/C19H22ClN3OS/c20-13-3-1-4-14(9-13)21-19(24)22-15-10-16-6-7-17(11-15)23(16)12-18-5-2-8-25-18/h1-5,8-9,15-17H,6-7,10-12H2,(H2,21,22,24)
InChIKeyZXBUYKRBLJKKDZ-UHFFFAOYSA-N
XLogP4.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea with MolForge

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Related Compounds

1-(4-(5-(Aminomethyl)thiophen-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11719877
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
3-(4-Chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 4257356
1-(3,4-Dichlorophenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-YL)ethyl]urea
CID 4571219
N-(2,5-dichlorophenyl)-N'-(2-thienylmethyl)urea
CID 6469164
(1S,5R)-3-(benzenesulfonyl)-N-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190907
3-(3-Chloro-4-fluorophenyl)-1-(4-(5-methylthiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 44424267
3-(3-Chloro-4-fluorophenyl)-1-(4-(5-cyanothiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 44424269
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739364
1-(3-Chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
CID 2808135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea (CID 3217863) is 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea is O=C(Nc1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1cccs1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea?
The InChIKey is ZXBUYKRBLJKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c20-13-3-1-4-14(9-13)21-19(24)22-15-10-16-6-7-17(11-15)23(16)12-18-5-2-8-25-18/h1-5,8-9,15-17H,6-7,10-12H2,(H2,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea?
1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea has a molecular weight of 375.93 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea is sourced from PubChem (CID 3217863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).