N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide

C29H28N4O5S — CID 157183712

IUPACN-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C29H28N4O5S/c1-38-25-9-3-2-8-24(25)31-29(35)33-18-16-32(17-19-33)28(34)23-13-11-21(12-14-23)20-39(36,37)26-10-4-6-22-7-5-15-30-27(22)26/h2-15H,16-20H2,1H3,(H,31,35)
InChIKeySIPWRSQLNUKTNY-UHFFFAOYSA-N
MW544.63 g/mol
LogP4.21
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide (PubChem CID 157183712) has the molecular formula C29H28N4O5S and a molecular weight of 544.63 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
PubChem CID157183712
Molecular FormulaC29H28N4O5S
Molecular Weight544.63 g/mol
Exact Mass544.18
IUPAC NameN-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C29H28N4O5S/c1-38-25-9-3-2-8-24(25)31-29(35)33-18-16-32(17-19-33)28(34)23-13-11-21(12-14-23)20-39(36,37)26-10-4-6-22-7-5-15-30-27(22)26/h2-15H,16-20H2,1H3,(H,31,35)
InChIKeySIPWRSQLNUKTNY-UHFFFAOYSA-N
XLogP4.21
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]-8-quinolinesulfonamide
CID 49854703
N-(2-methoxy-5-methylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 2210206
N-(2-methoxy-5-methylphenyl)-4-[(quinolin-8-ylsulfonyl)amino]benzamide
CID 5045494
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-[2-[6-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]benzamide
CID 164615855
N-(2-methoxyphenyl)-4-[(8-quinolinylsulfonyl)amino]benzamide
CID 1294684
N-(2-methoxyphenyl)-3-quinolin-8-ylsulfanylpropanamide
CID 975948
N-(2-Methoxyphenyl)-3-phenyl-2-(quinoline-8-sulfonamido)propanamide
CID 20880633
[2-(Quinoline-4-carbonylamino)phenyl] 4-methoxybenzenesulfonate
CID 44290592
N-[4-[3-(2-methoxyanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57382791
N-[4-[3-(2-methoxyanilino)azetidine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide
CID 57382792
N-[2-fluoro-4-[3-(2-methoxyanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57382830
N-[4-[3-(2-methoxy-N-methylanilino)azetidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57382832

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide (CID 157183712) is N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?
The InChIKey is SIPWRSQLNUKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O5S/c1-38-25-9-3-2-8-24(25)31-29(35)33-18-16-32(17-19-33)28(34)23-13-11-21(12-14-23)20-39(36,37)26-10-4-6-22-7-5-15-30-27(22)26/h2-15H,16-20H2,1H3,(H,31,35).
What are the key properties of N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide has a molecular weight of 544.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 157183712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).