N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide

C34H34FN5O5S — CID 10841876

IUPACN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
SMILESCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C34H34FN5O5S/c1-4-30-36-28-18-19-39(22-32(42)38(2)3)34(43)33(28)40(30)21-25-16-15-24(20-27(25)35)26-12-8-9-13-29(26)46(44,45)37-31(41)17-14-23-10-6-5-7-11-23/h5-13,15-16,18-20H,4,14,17,21-22H2,1-3H3,(H,37,41)
InChIKeyRUXHKESBUSHKRU-UHFFFAOYSA-N
MW643.74 g/mol
LogP4.14
Rot. Bonds11

About N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide

N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide (PubChem CID 10841876) has the molecular formula C34H34FN5O5S and a molecular weight of 643.74 g/mol. Its IUPAC name is N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
PubChem CID10841876
Molecular FormulaC34H34FN5O5S
Molecular Weight643.74 g/mol
Exact Mass643.23
IUPAC NameN-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide
SMILESCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C34H34FN5O5S/c1-4-30-36-28-18-19-39(22-32(42)38(2)3)34(43)33(28)40(30)21-25-16-15-24(20-27(25)35)26-12-8-9-13-29(26)46(44,45)37-31(41)17-14-23-10-6-5-7-11-23/h5-13,15-16,18-20H,4,14,17,21-22H2,1-3H3,(H,37,41)
InChIKeyRUXHKESBUSHKRU-UHFFFAOYSA-N
XLogP4.14
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The IUPAC name of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide (CID 10841876) is N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide is CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCc2ccccc2)cc1F.
What is the InChIKey of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
The InChIKey is RUXHKESBUSHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5O5S/c1-4-30-36-28-18-19-39(22-32(42)38(2)3)34(43)33(28)40(30)21-25-16-15-24(20-27(25)35)26-12-8-9-13-29(26)46(44,45)37-31(41)17-14-23-10-6-5-7-11-23/h5-13,15-16,18-20H,4,14,17,21-22H2,1-3H3,(H,37,41).
What are the key properties of N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide?
N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide has a molecular weight of 643.74 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-3-phenylpropanamide is sourced from PubChem (CID 10841876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).