N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide

C23H29N3O4S — CID 55668918

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-25-13-15-26(16-14-25)31(28,29)21-9-7-20(8-10-21)24-22(27)23(11-17-30-18-12-23)19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,24,27)
InChIKeyXDPMRTCKHSQBKS-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.31
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide (PubChem CID 55668918) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
PubChem CID55668918
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-25-13-15-26(16-14-25)31(28,29)21-9-7-20(8-10-21)24-22(27)23(11-17-30-18-12-23)19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,24,27)
InChIKeyXDPMRTCKHSQBKS-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271594
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 28624319
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679219
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide (CID 55668918) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is XDPMRTCKHSQBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-25-13-15-26(16-14-25)31(28,29)21-9-7-20(8-10-21)24-22(27)23(11-17-30-18-12-23)19-5-3-2-4-6-19/h2-10H,11-18H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 55668918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).