(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide

C29H35N3O5S — CID 122702303

IUPAC(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cn3ccccc3n2)cc1
InChIInChI=1S/C29H35N3O5S/c1-21(2)37-29(27-20-31-17-7-6-8-28(31)30-27)22(3)38(33,34)32(18-23-9-13-25(35-4)14-10-23)19-24-11-15-26(36-5)16-12-24/h6-17,20-22,29H,18-19H2,1-5H3/t22-,29+/m0/s1
InChIKeyFZTPNSHZKKOURH-PZGXJGMVSA-N
MW537.68 g/mol
LogP5.24
Rot. Bonds12

About (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide

(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 122702303) has the molecular formula C29H35N3O5S and a molecular weight of 537.68 g/mol. Its IUPAC name is (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide
PubChem CID122702303
Molecular FormulaC29H35N3O5S
Molecular Weight537.68 g/mol
Exact Mass537.23
IUPAC Name(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cn3ccccc3n2)cc1
InChIInChI=1S/C29H35N3O5S/c1-21(2)37-29(27-20-31-17-7-6-8-28(31)30-27)22(3)38(33,34)32(18-23-9-13-25(35-4)14-10-23)19-24-11-15-26(36-5)16-12-24/h6-17,20-22,29H,18-19H2,1-5H3/t22-,29+/m0/s1
InChIKeyFZTPNSHZKKOURH-PZGXJGMVSA-N
XLogP5.24
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.68
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702254
(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702149
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine
CID 157396038
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
(1S,2S)-1-(5-chloro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122701832
(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702089
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
CID 66098741

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide (CID 122702303) is (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cn3ccccc3n2)cc1.
What is the InChIKey of (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide?
The InChIKey is FZTPNSHZKKOURH-PZGXJGMVSA-N. The full InChI is InChI=1S/C29H35N3O5S/c1-21(2)37-29(27-20-31-17-7-6-8-28(31)30-27)22(3)38(33,34)32(18-23-9-13-25(35-4)14-10-23)19-24-11-15-26(36-5)16-12-24/h6-17,20-22,29H,18-19H2,1-5H3/t22-,29+/m0/s1.
What are the key properties of (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide?
(1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 537.68 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-imidazo[1,2-a]pyridin-2-yl-N,N-bis[(4-methoxyphenyl)methyl]-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 122702303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).