N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

C20H27N3O3S — CID 17401125

IUPACN-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC(C)CC(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)14-19(17-6-4-3-5-7-17)22-20-9-8-18(15-21-20)27(24,25)23-10-12-26-13-11-23/h3-9,15-16,19H,10-14H2,1-2H3,(H,21,22)
InChIKeyRRESXVRWPHDZRZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.30
Rot. Bonds7

About N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 17401125) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID17401125
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC(C)CC(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-16(2)14-19(17-6-4-3-5-7-17)22-20-9-8-18(15-21-20)27(24,25)23-10-12-26-13-11-23/h3-9,15-16,19H,10-14H2,1-2H3,(H,21,22)
InChIKeyRRESXVRWPHDZRZ-UHFFFAOYSA-N
XLogP3.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-yl-1-phenylethyl)pyridin-2-amine
CID 55431920
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9024142
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 17401125) is N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is CC(C)CC(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is RRESXVRWPHDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(2)14-19(17-6-4-3-5-7-17)22-20-9-8-18(15-21-20)27(24,25)23-10-12-26-13-11-23/h3-9,15-16,19H,10-14H2,1-2H3,(H,21,22).
What are the key properties of N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 389.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 17401125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).