N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C16H26N2O4S2 — CID 51338664

IUPACN-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H26N2O4S2/c1-2-3-11-22-12-6-8-17-16(19)15-14(7-13-23-15)24(20,21)18-9-4-5-10-18/h7,13H,2-6,8-12H2,1H3,(H,17,19)
InChIKeyDRQRQYDPFGJCGG-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.47
Rot. Bonds10

About N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 51338664) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID51338664
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H26N2O4S2/c1-2-3-11-22-12-6-8-17-16(19)15-14(7-13-23-15)24(20,21)18-9-4-5-10-18/h7,13H,2-6,8-12H2,1H3,(H,17,19)
InChIKeyDRQRQYDPFGJCGG-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-butyl-3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076889
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076901
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
tert-butyl 4-[2-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55991918
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 51338664) is N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CCCCOCCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DRQRQYDPFGJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-2-3-11-22-12-6-8-17-16(19)15-14(7-13-23-15)24(20,21)18-9-4-5-10-18/h7,13H,2-6,8-12H2,1H3,(H,17,19).
What are the key properties of N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 51338664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).