N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide

C16H21NOS — CID 107030502

IUPACN,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H21NOS/c18-16(9-12-5-7-15(19)8-6-12)17(10-13-1-2-13)11-14-3-4-14/h5-8,13-14,19H,1-4,9-11H2
InChIKeyIVGKHDQTUXHQJC-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.17
Rot. Bonds6

About N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide

N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107030502) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107030502
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H21NOS/c18-16(9-12-5-7-15(19)8-6-12)17(10-13-1-2-13)11-14-3-4-14/h5-8,13-14,19H,1-4,9-11H2
InChIKeyIVGKHDQTUXHQJC-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
CID 63956825
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
CID 107026216
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
CID 107024826
2-chloro-N,N-bis(cyclopropylmethyl)-5-sulfanylbenzamide
CID 107030501
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide (CID 107030502) is N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is IVGKHDQTUXHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(9-12-5-7-15(19)8-6-12)17(10-13-1-2-13)11-14-3-4-14/h5-8,13-14,19H,1-4,9-11H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide?
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 275.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107030502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).