N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide

C19H20ClN3O2S — CID 55866321

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCc1noc(CCCC(=O)NC(c2ccc(Cl)cc2)c2cccs2)n1
InChIInChI=1S/C19H20ClN3O2S/c1-2-16-21-18(25-23-16)7-3-6-17(24)22-19(15-5-4-12-26-15)13-8-10-14(20)11-9-13/h4-5,8-12,19H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyRVQZJNCUKKSDAM-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.58
Rot. Bonds8

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55866321) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55866321
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCc1noc(CCCC(=O)NC(c2ccc(Cl)cc2)c2cccs2)n1
InChIInChI=1S/C19H20ClN3O2S/c1-2-16-21-18(25-23-16)7-3-6-17(24)22-19(15-5-4-12-26-15)13-8-10-14(20)11-9-13/h4-5,8-12,19H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyRVQZJNCUKKSDAM-UHFFFAOYSA-N
XLogP4.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 124606726
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 94812591
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide
CID 51095710
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55866321) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide is CCc1noc(CCCC(=O)NC(c2ccc(Cl)cc2)c2cccs2)n1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is RVQZJNCUKKSDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-2-16-21-18(25-23-16)7-3-6-17(24)22-19(15-5-4-12-26-15)13-8-10-14(20)11-9-13/h4-5,8-12,19H,2-3,6-7H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 389.91 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55866321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).