N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide

C26H28N2O3S — CID 2717065

IUPACN-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)CCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H28N2O3S/c1-20(27-32(29,30)24-16-14-23(31-2)15-17-24)12-13-22-19-28(18-21-8-4-3-5-9-21)26-11-7-6-10-25(22)26/h3-11,14-17,19-20,27H,12-13,18H2,1-2H3/t20-/m1/s1
InChIKeyDDOGTLPQQQMUGR-HXUWFJFHSA-N
MW448.59 g/mol
LogP5.00
Rot. Bonds9

About N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide

N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 2717065) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID2717065
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC NameN-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)CCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H28N2O3S/c1-20(27-32(29,30)24-16-14-23(31-2)15-17-24)12-13-22-19-28(18-21-8-4-3-5-9-21)26-11-7-6-10-25(22)26/h3-11,14-17,19-20,27H,12-13,18H2,1-2H3/t20-/m1/s1
InChIKeyDDOGTLPQQQMUGR-HXUWFJFHSA-N
XLogP5.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 11562816
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]ethanamine
CID 141288029
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-hydroxyphenyl)methyl]indol-3-yl]propanoic acid
CID 68815280
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide (CID 2717065) is N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)CCc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is DDOGTLPQQQMUGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-20(27-32(29,30)24-16-14-23(31-2)15-17-24)12-13-22-19-28(18-21-8-4-3-5-9-21)26-11-7-6-10-25(22)26/h3-11,14-17,19-20,27H,12-13,18H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide?
N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(1-benzylindol-3-yl)butan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2717065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).