N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H20N4O5S2 — CID 36762936

IUPACN-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H20N4O5S2/c24-16-10-12(11-23(16)13-7-8-13)18(25)20-21-19(26)14-4-1-2-5-15(14)22-30(27,28)17-6-3-9-29-17/h1-6,9,12-13,22H,7-8,10-11H2,(H,20,25)(H,21,26)/t12-/m0/s1
InChIKeyZLFMKXAPVXOUNX-LBPRGKRZSA-N
MW448.53 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 36762936) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID36762936
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC NameN-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H20N4O5S2/c24-16-10-12(11-23(16)13-7-8-13)18(25)20-21-19(26)14-4-1-2-5-15(14)22-30(27,28)17-6-3-9-29-17/h1-6,9,12-13,22H,7-8,10-11H2,(H,20,25)(H,21,26)/t12-/m0/s1
InChIKeyZLFMKXAPVXOUNX-LBPRGKRZSA-N
XLogP1.32
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 94186669
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N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 46652903
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
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N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
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CID 5064484
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084777
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359615

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 36762936) is N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZLFMKXAPVXOUNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c24-16-10-12(11-23(16)13-7-8-13)18(25)20-21-19(26)14-4-1-2-5-15(14)22-30(27,28)17-6-3-9-29-17/h1-6,9,12-13,22H,7-8,10-11H2,(H,20,25)(H,21,26)/t12-/m0/s1.
What are the key properties of N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 448.53 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 36762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).