N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide

C14H21N3O3S — CID 2190794

IUPACN-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21N3O3S/c18-14(12-17-10-4-5-11-17)15-8-9-16-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2,(H,15,18)
InChIKeyDRHKLEXEDDTPKP-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.18
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide

N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 2190794) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID2190794
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21N3O3S/c18-14(12-17-10-4-5-11-17)15-8-9-16-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2,(H,15,18)
InChIKeyDRHKLEXEDDTPKP-UHFFFAOYSA-N
XLogP0.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119704261
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
(3S)-1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-3-carboxamide
CID 94665231
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide (CID 2190794) is N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is DRHKLEXEDDTPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c18-14(12-17-10-4-5-11-17)15-8-9-16-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12H2,(H,15,18).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide?
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 311.41 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2190794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).