5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

C18H29N3O3S — CID 42751690

IUPAC5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-5-12-25(23,24)20-15-8-9-17(21-10-6-7-11-21)16(13-15)18(22)19-14(2)3/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,19,22)
InChIKeyGWCOBBKQRWFTQK-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.97
Rot. Bonds8

About 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751690) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID42751690
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)NC(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-5-12-25(23,24)20-15-8-9-17(21-10-6-7-11-21)16(13-15)18(22)19-14(2)3/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,19,22)
InChIKeyGWCOBBKQRWFTQK-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(octylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 3418480
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide
CID 42751719
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)-4-pyrrolidin-1-ylanilino]butanoate
CID 42751125
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5204390
N-[(2R)-butan-2-yl]-5-[[(2R)-2-ethylhexanoyl]amino]-2-piperidin-1-ylbenzamide
CID 7230917
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
2-(4-benzylpiperidin-1-yl)-5-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 42751698
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696

Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (CID 42751690) is 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is CCCCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)NC(C)C)c1.
What is the InChIKey of 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GWCOBBKQRWFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-5-12-25(23,24)20-15-8-9-17(21-10-6-7-11-21)16(13-15)18(22)19-14(2)3/h8-9,13-14,20H,4-7,10-12H2,1-3H3,(H,19,22).
What are the key properties of 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).