N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C28H25N3O5S2 — CID 98173426

IUPACN-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C28H25N3O5S2/c32-25(24-14-7-19-37-24)29-26(38(35,36)21-10-2-1-3-11-21)28(34)31-17-15-30(16-18-31)27(33)23-13-6-9-20-8-4-5-12-22(20)23/h1-14,19,26H,15-18H2,(H,29,32)/t26-/m1/s1
InChIKeyMYGUNHOMIVHACO-AREMUKBSSA-N
MW547.66 g/mol
LogP3.42
Rot. Bonds6

About N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 98173426) has the molecular formula C28H25N3O5S2 and a molecular weight of 547.66 g/mol. Its IUPAC name is N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID98173426
Molecular FormulaC28H25N3O5S2
Molecular Weight547.66 g/mol
Exact Mass547.12
IUPAC NameN-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C28H25N3O5S2/c32-25(24-14-7-19-37-24)29-26(38(35,36)21-10-2-1-3-11-21)28(34)31-17-15-30(16-18-31)27(33)23-13-6-9-20-8-4-5-12-22(20)23/h1-14,19,26H,15-18H2,(H,29,32)/t26-/m1/s1
InChIKeyMYGUNHOMIVHACO-AREMUKBSSA-N
XLogP3.42
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173415
N-[(1R)-1-(benzenesulfonyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173345
N-[(1S)-1-(benzenesulfonyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 51857974
N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 51857965
N-[(1S)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide
CID 98173582
N-[(1S)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 98173237
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
N-[(1S)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 41201701
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 98173426) is N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)S(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MYGUNHOMIVHACO-AREMUKBSSA-N. The full InChI is InChI=1S/C28H25N3O5S2/c32-25(24-14-7-19-37-24)29-26(38(35,36)21-10-2-1-3-11-21)28(34)31-17-15-30(16-18-31)27(33)23-13-6-9-20-8-4-5-12-22(20)23/h1-14,19,26H,15-18H2,(H,29,32)/t26-/m1/s1.
What are the key properties of N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 547.66 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(benzenesulfonyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 98173426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).