benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid

C48H48N10O9S2 — CID 135310797

About benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid

benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid (PubChem CID 135310797) has the molecular formula C48H48N10O9S2 and a molecular weight of 973.11 g/mol. Its IUPAC name is benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid.

Molecular Properties

• Compound Name: benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid
• PubChem CID: 135310797
• Molecular Formula: C48H48N10O9S2
• Molecular Weight: 973.11 g/mol
• Exact Mass: 972.30
• IUPAC Name: benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(S(=O)(=O)N[C@H](C)CN(Cc3ccccc3)C(=O)O)ccc(-c3cncn4ccnc34)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
• InChI: InChI=1S/C48H48N10O9S2/c1-33(27-56(48(59)60)28-34-8-6-5-7-9-34)53-68(61,62)43-23-22-41(42-26-49-32-55-25-24-50-47(42)55)44(46-51-54-58(52-46)31-37-14-20-40(67-4)21-15-37)45(43)69(63,64)57(29-35-10-16-38(65-2)17-11-35)30-36-12-18-39(66-3)19-13-36/h5-26,32-33,53H,27-31H2,1-4H3,(H,59,60)/t33-/m1/s1
• InChIKey: ZYYIKTSHTLZXBQ-MGBGTMOVSA-N
• XLogP: 6.36
• TPSA: 225.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.11
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid?

The IUPAC name of benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid (CID 135310797) is benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid.

What is the SMILES notation for benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid?

The canonical SMILES for benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(S(=O)(=O)N[C@H](C)CN(Cc3ccccc3)C(=O)O)ccc(-c3cncn4ccnc34)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.

What is the InChIKey of benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid?

The InChIKey is ZYYIKTSHTLZXBQ-MGBGTMOVSA-N. The full InChI is InChI=1S/C48H48N10O9S2/c1-33(27-56(48(59)60)28-34-8-6-5-7-9-34)53-68(61,62)43-23-22-41(42-26-49-32-55-25-24-50-47(42)55)44(46-51-54-58(52-46)31-37-14-20-40(67-4)21-15-37)45(43)69(63,64)57(29-35-10-16-38(65-2)17-11-35)30-36-12-18-39(66-3)19-13-36/h5-26,32-33,53H,27-31H2,1-4H3,(H,59,60)/t33-/m1/s1.

What are the key properties of benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid?

benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid has a molecular weight of 973.11 g/mol, XLogP of 6.36, 20 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl-[(2R)-2-[[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-imidazo[1,2-c]pyrimidin-8-yl-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]propyl]carbamic acid is sourced from PubChem (CID 135310797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).