N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

C24H29N3O5S — CID 43049727

IUPACN-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C24H29N3O5S/c28-23(18-7-5-8-20(17-18)26-24(29)22-9-6-16-32-22)25-19-10-12-21(13-11-19)33(30,31)27-14-3-1-2-4-15-27/h5,7-8,10-13,17,22H,1-4,6,9,14-16H2,(H,25,28)(H,26,29)
InChIKeyZIYPCLNRVOWUBJ-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.62
Rot. Bonds6

About N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 43049727) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID43049727
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C24H29N3O5S/c28-23(18-7-5-8-20(17-18)26-24(29)22-9-6-16-32-22)25-19-10-12-21(13-11-19)33(30,31)27-14-3-1-2-4-15-27/h5,7-8,10-13,17,22H,1-4,6,9,14-16H2,(H,25,28)(H,26,29)
InChIKeyZIYPCLNRVOWUBJ-UHFFFAOYSA-N
XLogP3.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
N-[3-[(3,5-difluoro-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55834754
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 43049727) is N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ZIYPCLNRVOWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c28-23(18-7-5-8-20(17-18)26-24(29)22-9-6-16-32-22)25-19-10-12-21(13-11-19)33(30,31)27-14-3-1-2-4-15-27/h5,7-8,10-13,17,22H,1-4,6,9,14-16H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43049727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).