3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

C11H16ClNOS — CID 62729258

IUPAC3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)CCl
InChIInChI=1S/C11H16ClNOS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7H2,1-3H3
InChIKeyFIEQDPRGYWBVBT-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.89
Rot. Bonds4

About 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 62729258) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID62729258
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)CCl
InChIInChI=1S/C11H16ClNOS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7H2,1-3H3
InChIKeyFIEQDPRGYWBVBT-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 79201552
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-[3-hydroxy-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 86785000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 62729258) is 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CN(C)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is FIEQDPRGYWBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-8-4-5-15-10(8)7-13(3)11(14)9(2)6-12/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 245.77 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 62729258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).