N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide

C18H26N2O4S — CID 119105507

IUPACN-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)N2CCC(OCC3CC3)C2)c1
InChIInChI=1S/C18H26N2O4S/c1-14-3-2-4-17(11-14)25(22,23)19-9-7-18(21)20-10-8-16(12-20)24-13-15-5-6-15/h2-4,11,15-16,19H,5-10,12-13H2,1H3
InChIKeyJPOPDHBCQPBPAO-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.69
Rot. Bonds8

About N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide

N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide (PubChem CID 119105507) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
PubChem CID119105507
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)N2CCC(OCC3CC3)C2)c1
InChIInChI=1S/C18H26N2O4S/c1-14-3-2-4-17(11-14)25(22,23)19-9-7-18(21)20-10-8-16(12-20)24-13-15-5-6-15/h2-4,11,15-16,19H,5-10,12-13H2,1H3
InChIKeyJPOPDHBCQPBPAO-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9295871
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide (CID 119105507) is N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(OCC3CC3)C2)c1.
What is the InChIKey of N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide?
The InChIKey is JPOPDHBCQPBPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-3-2-4-17(11-14)25(22,23)19-9-7-18(21)20-10-8-16(12-20)24-13-15-5-6-15/h2-4,11,15-16,19H,5-10,12-13H2,1H3.
What are the key properties of N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide?
N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide has a molecular weight of 366.48 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 119105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).