1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea

C22H30N4O3S — CID 51953978

IUPAC1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)20(18-8-13-30-16-18)15-23-22(28)24-19-7-5-6-17(14-19)21(27)26-9-11-29-12-10-26/h5-8,13-14,16,20H,3-4,9-12,15H2,1-2H3,(H2,23,24,28)/t20-/m1/s1
InChIKeyPWDLXGGQDYFQGO-HXUWFJFHSA-N
MW430.57 g/mol
LogP3.43
Rot. Bonds8

About 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea

1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 51953978) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID51953978
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)20(18-8-13-30-16-18)15-23-22(28)24-19-7-5-6-17(14-19)21(27)26-9-11-29-12-10-26/h5-8,13-14,16,20H,3-4,9-12,15H2,1-2H3,(H2,23,24,28)/t20-/m1/s1
InChIKeyPWDLXGGQDYFQGO-HXUWFJFHSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-ylethyl]urea
CID 51116798
1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 51953945
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39209124
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 47056166
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946045
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 38391003
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (CID 51953978) is 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea is CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1.
What is the InChIKey of 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is PWDLXGGQDYFQGO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-25(4-2)20(18-8-13-30-16-18)15-23-22(28)24-19-7-5-6-17(14-19)21(27)26-9-11-29-12-10-26/h5-8,13-14,16,20H,3-4,9-12,15H2,1-2H3,(H2,23,24,28)/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 430.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 51953978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).