N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C16H17N3O4S2 — CID 43016985

IUPACN-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCC1CC1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S2/c1-10-9-12(10)16(21)18-17-15(20)11-5-2-3-6-13(11)19-25(22,23)14-7-4-8-24-14/h2-8,10,12,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyFPRZAEGYIIZZGE-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.97
Rot. Bonds5

About N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 43016985) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID43016985
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCC1CC1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S2/c1-10-9-12(10)16(21)18-17-15(20)11-5-2-3-6-13(11)19-25(22,23)14-7-4-8-24-14/h2-8,10,12,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyFPRZAEGYIIZZGE-UHFFFAOYSA-N
XLogP1.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 30156853
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N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 36762936
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CID 27698726
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
N-[2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156981
N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 43016985) is N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is CC1CC1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is FPRZAEGYIIZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-10-9-12(10)16(21)18-17-15(20)11-5-2-3-6-13(11)19-25(22,23)14-7-4-8-24-14/h2-8,10,12,19H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 379.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43016985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).