N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide

C19H30N2O3S — CID 75447914

IUPACN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide
SMILESCC1CN(CCc2cccc(NC(=O)CS(=O)(=O)C(C)C)c2)CC1C
InChIInChI=1S/C19H30N2O3S/c1-14(2)25(23,24)13-19(22)20-18-7-5-6-17(10-18)8-9-21-11-15(3)16(4)12-21/h5-7,10,14-16H,8-9,11-13H2,1-4H3,(H,20,22)
InChIKeyGYKVQUULWFKIFU-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.58
Rot. Bonds7

About N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide

N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide (PubChem CID 75447914) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide
PubChem CID75447914
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide
SMILESCC1CN(CCc2cccc(NC(=O)CS(=O)(=O)C(C)C)c2)CC1C
InChIInChI=1S/C19H30N2O3S/c1-14(2)25(23,24)13-19(22)20-18-7-5-6-17(10-18)8-9-21-11-15(3)16(4)12-21/h5-7,10,14-16H,8-9,11-13H2,1-4H3,(H,20,22)
InChIKeyGYKVQUULWFKIFU-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 75447494
3-[[3-[(2-propan-2-ylsulfonylacetyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241186
1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea
CID 167926144
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122
2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 66561413
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
3-[2-(3-chloroanilino)-2-oxoethyl]sulfonylbutanoic acid
CID 66114783
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]butanamide;hydrochloride
CID 119324021
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide (CID 75447914) is N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide is CC1CN(CCc2cccc(NC(=O)CS(=O)(=O)C(C)C)c2)CC1C.
What is the InChIKey of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide?
The InChIKey is GYKVQUULWFKIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14(2)25(23,24)13-19(22)20-18-7-5-6-17(10-18)8-9-21-11-15(3)16(4)12-21/h5-7,10,14-16H,8-9,11-13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide?
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide has a molecular weight of 366.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 75447914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).