3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide

C7H14ClN3O4S — CID 43546318

IUPAC3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)NC(=O)CCCl
InChIInChI=1S/C7H14ClN3O4S/c1-16(14,15)10-5-4-9-7(13)11-6(12)2-3-8/h10H,2-5H2,1H3,(H2,9,11,12,13)
InChIKeyHISVRNACAZUTOO-UHFFFAOYSA-N
MW271.73 g/mol
LogP-1.01
Rot. Bonds6

About 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide

3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide (PubChem CID 43546318) has the molecular formula C7H14ClN3O4S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
PubChem CID43546318
Molecular FormulaC7H14ClN3O4S
Molecular Weight271.73 g/mol
Exact Mass271.04
IUPAC Name3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)NC(=O)CCCl
InChIInChI=1S/C7H14ClN3O4S/c1-16(14,15)10-5-4-9-7(13)11-6(12)2-3-8/h10H,2-5H2,1H3,(H2,9,11,12,13)
InChIKeyHISVRNACAZUTOO-UHFFFAOYSA-N
XLogP-1.01
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide
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6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011
3-chloro-N-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]propanamide
CID 106041039
3-[2-(methanesulfonamido)ethylamino]-3-oxopropanoic acid
CID 62230209
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
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N-(propylcarbamoyl)butanamide
CID 12936931
3-chloro-N-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]propanamide
CID 106431805
3-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]propanamide
CID 106421413
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
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N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
3-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]propanamide
CID 43146371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide (CID 43546318) is 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide is CS(=O)(=O)NCCNC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide?
The InChIKey is HISVRNACAZUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN3O4S/c1-16(14,15)10-5-4-9-7(13)11-6(12)2-3-8/h10H,2-5H2,1H3,(H2,9,11,12,13).
What are the key properties of 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide?
3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide has a molecular weight of 271.73 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide is sourced from PubChem (CID 43546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).