N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C27H29N3O4S — CID 24543794

IUPACN-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H29N3O4S/c31-26(19-28-27(32)24-10-9-20-5-1-3-7-22(20)17-24)29-13-15-30(16-14-29)35(33,34)25-12-11-21-6-2-4-8-23(21)18-25/h1,3,5,7,9-12,17-18H,2,4,6,8,13-16,19H2,(H,28,32)
InChIKeyMMSRJKXOIXJPIR-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.98
Rot. Bonds5

About N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 24543794) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID24543794
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H29N3O4S/c31-26(19-28-27(32)24-10-9-20-5-1-3-7-22(20)17-24)29-13-15-30(16-14-29)35(33,34)25-12-11-21-6-2-4-8-23(21)18-25/h1,3,5,7,9-12,17-18H,2,4,6,8,13-16,19H2,(H,28,32)
InChIKeyMMSRJKXOIXJPIR-UHFFFAOYSA-N
XLogP2.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]benzamide
CID 24543792
N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 16573386
2-anilino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 119687790
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
2-ethoxy-N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 46651151
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86884558
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 24543794) is N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is MMSRJKXOIXJPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-26(19-28-27(32)24-10-9-20-5-1-3-7-22(20)17-24)29-13-15-30(16-14-29)35(33,34)25-12-11-21-6-2-4-8-23(21)18-25/h1,3,5,7,9-12,17-18H,2,4,6,8,13-16,19H2,(H,28,32).
What are the key properties of N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24543794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).