1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

C19H31N3O3S — CID 110630199

IUPAC1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCCC(C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-15(2)21-19(23)20-13-12-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-16(22)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyAWMSZEJSUKWDJX-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.89
Rot. Bonds7

About 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (PubChem CID 110630199) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
PubChem CID110630199
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCCC(C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-15(2)21-19(23)20-13-12-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-16(22)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyAWMSZEJSUKWDJX-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (CID 110630199) is 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is CCC(C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The InChIKey is AWMSZEJSUKWDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-15(2)21-19(23)20-13-12-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-16(22)3/h8-11,15-16H,4-7,12-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea has a molecular weight of 381.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is sourced from PubChem (CID 110630199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).