propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate

C24H28N4O4S — CID 89490428

IUPACpropan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3Cc4ncn(C)c4C[C@@H]3C)cc2)cc1
InChIInChI=1S/C24H28N4O4S/c1-16(2)32-24(29)26-20-9-5-18(6-10-20)19-7-11-21(12-8-19)33(30,31)28-14-22-23(13-17(28)3)27(4)15-25-22/h5-12,15-17H,13-14H2,1-4H3,(H,26,29)/t17-/m0/s1
InChIKeyQDNBKKJFMPLBLL-KRWDZBQOSA-N
MW468.58 g/mol
LogP4.18
Rot. Bonds5

About propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate

propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate (PubChem CID 89490428) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate
PubChem CID89490428
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Namepropan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3Cc4ncn(C)c4C[C@@H]3C)cc2)cc1
InChIInChI=1S/C24H28N4O4S/c1-16(2)32-24(29)26-20-9-5-18(6-10-20)19-7-11-21(12-8-19)33(30,31)28-14-22-23(13-17(28)3)27(4)15-25-22/h5-12,15-17H,13-14H2,1-4H3,(H,26,29)/t17-/m0/s1
InChIKeyQDNBKKJFMPLBLL-KRWDZBQOSA-N
XLogP4.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl (6S)-5-(4-methoxyphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745526
2-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 21305003
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4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
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CID 41123964
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate (CID 89490428) is propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3Cc4ncn(C)c4C[C@@H]3C)cc2)cc1.
What is the InChIKey of propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate?
The InChIKey is QDNBKKJFMPLBLL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16(2)32-24(29)26-20-9-5-18(6-10-20)19-7-11-21(12-8-19)33(30,31)28-14-22-23(13-17(28)3)27(4)15-25-22/h5-12,15-17H,13-14H2,1-4H3,(H,26,29)/t17-/m0/s1.
What are the key properties of propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate?
propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate has a molecular weight of 468.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate is sourced from PubChem (CID 89490428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).